1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine

C23H42N6O3S — CID 165103016

IUPAC1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CN)N(C)C.CC(CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2)N(C)C
InChIInChI=1S/C18H28N4O3S.C5H14N2/c1-12(22(2)3)11-19-26(24,25)21-18(23)20-17-15-8-4-6-13(15)10-14-7-5-9-16(14)17;1-5(4-6)7(2)3/h10,12,19H,4-9,11H2,1-3H3,(H2,20,21,23);5H,4,6H2,1-3H3
InChIKeyYQQJNXMVKZHHEL-UHFFFAOYSA-N
MW482.70 g/mol
LogP1.47
Rot. Bonds8

About 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine

1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 165103016) has the molecular formula C23H42N6O3S and a molecular weight of 482.70 g/mol. Its IUPAC name is 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine
PubChem CID165103016
Molecular FormulaC23H42N6O3S
Molecular Weight482.70 g/mol
Exact Mass482.30
IUPAC Name1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine
SMILESCC(CN)N(C)C.CC(CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2)N(C)C
InChIInChI=1S/C18H28N4O3S.C5H14N2/c1-12(22(2)3)11-19-26(24,25)21-18(23)20-17-15-8-4-6-13(15)10-14-7-5-9-16(14)17;1-5(4-6)7(2)3/h10,12,19H,4-9,11H2,1-3H3,(H2,20,21,23);5H,4,6H2,1-3H3
InChIKeyYQQJNXMVKZHHEL-UHFFFAOYSA-N
XLogP1.47
TPSA119.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.70
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

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CID 165090137
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea
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CID 175947030
CID 175947030
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
CID 146394255
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
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-3-methylpent-1-enyl]sulfonylurea
CID 155007218
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
CID 146394288
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea
CID 130356282
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
1-[(4-chloro-2-fluorophenyl)methylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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1-[3-(dipropylamino)-2-methylpropyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine (CID 165103016) is 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine is CC(CN)N(C)C.CC(CNS(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is YQQJNXMVKZHHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3S.C5H14N2/c1-12(22(2)3)11-19-26(24,25)21-18(23)20-17-15-8-4-6-13(15)10-14-7-5-9-16(14)17;1-5(4-6)7(2)3/h10,12,19H,4-9,11H2,1-3H3,(H2,20,21,23);5H,4,6H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine?
1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 482.70 g/mol, XLogP of 1.47, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)propylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;2-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 165103016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).