1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine

C29H50N6O3S — CID 165019387

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(N(C)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CNC1CCN(C(C)C)C1
InChIInChI=1S/C21H32N4O3S.C8H18N2/c1-14(2)25-11-10-17(13-25)24(3)29(27,28)23-21(26)22-20-18-8-4-6-15(18)12-16-7-5-9-19(16)20;1-7(2)10-5-4-8(6-10)9-3/h12,14,17H,4-11,13H2,1-3H3,(H2,22,23,26);7-9H,4-6H2,1-3H3
InChIKeyKXVIHOIMGJJIAZ-UHFFFAOYSA-N
MW562.83 g/mol
LogP3.13
Rot. Bonds7

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine (PubChem CID 165019387) has the molecular formula C29H50N6O3S and a molecular weight of 562.83 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine
PubChem CID165019387
Molecular FormulaC29H50N6O3S
Molecular Weight562.83 g/mol
Exact Mass562.37
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N1CCC(N(C)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CNC1CCN(C(C)C)C1
InChIInChI=1S/C21H32N4O3S.C8H18N2/c1-14(2)25-11-10-17(13-25)24(3)29(27,28)23-21(26)22-20-18-8-4-6-15(18)12-16-7-5-9-19(16)20;1-7(2)10-5-4-8(6-10)9-3/h12,14,17H,4-11,13H2,1-3H3,(H2,22,23,26);7-9H,4-6H2,1-3H3
InChIKeyKXVIHOIMGJJIAZ-UHFFFAOYSA-N
XLogP3.13
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.83
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine with MolForge

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-propan-2-ylpiperidin-4-yl)methylsulfonyl]urea
CID 155224223
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methylsulfamoyl]urea
CID 164793573
CID 175947030
CID 175947030
CID 175825067
CID 175825067
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[oxan-4-yl-(1-propan-2-ylpyrazol-4-yl)sulfamoyl]urea
CID 155225109
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylurea
CID 130356337
1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
CID 155225246
CID 155225246
CID 175724097
CID 175724097
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2-oxo-1-propan-2-yl-3-pyridinyl)sulfonyl]urea
CID 137402561
CID 137453163
CID 137453163

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine (CID 165019387) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine is CC(C)N1CCC(N(C)S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.CNC1CCN(C(C)C)C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KXVIHOIMGJJIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3S.C8H18N2/c1-14(2)25-11-10-17(13-25)24(3)29(27,28)23-21(26)22-20-18-8-4-6-15(18)12-16-7-5-9-19(16)20;1-7(2)10-5-4-8(6-10)9-3/h12,14,17H,4-11,13H2,1-3H3,(H2,22,23,26);7-9H,4-6H2,1-3H3.
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine has a molecular weight of 562.83 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[methyl-(1-propan-2-ylpyrrolidin-3-yl)sulfamoyl]urea;N-methyl-1-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 165019387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).