1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea

C18H26N4O3S — CID 146394255

IUPAC1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
SMILESCN1CC(CNS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C18H26N4O3S/c1-22-10-12(11-22)9-19-26(24,25)21-18(23)20-17-15-6-2-4-13(15)8-14-5-3-7-16(14)17/h8,12,19H,2-7,9-11H2,1H3,(H2,20,21,23)
InChIKeyCBQFWUVBTILLBT-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.18
Rot. Bonds5

About 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea (PubChem CID 146394255) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea.

Molecular Properties

Compound Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
PubChem CID146394255
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea
SMILESCN1CC(CNS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1
InChIInChI=1S/C18H26N4O3S/c1-22-10-12(11-22)9-19-26(24,25)21-18(23)20-17-15-6-2-4-13(15)8-14-5-3-7-16(14)17/h8,12,19H,2-7,9-11H2,1H3,(H2,20,21,23)
InChIKeyCBQFWUVBTILLBT-UHFFFAOYSA-N
XLogP1.18
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
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CID 175947001
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-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
2-(azetidin-1-yl)ethanamine;1-[2-(azetidin-1-yl)ethylsulfamoyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165090137
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(5S)-8-(1-methylazetidin-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]sulfonyl]urea
CID 155120766
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-hydroxybutylsulfamoyl)urea
CID 146394304
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[1-(3-hydroxypropyl)azetidin-3-yl]sulfonylurea
CID 137403185
CID 175724048
CID 175724048
CID 175724043
CID 175724043
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(2,4,6-trifluorophenyl)methylsulfamoyl]urea
CID 130356282
1-[(1,3-dimethyl-2,4-dioxo-1,3-diazinan-5-yl)sulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 137402408

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea?
The IUPAC name of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea (CID 146394255) is 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea.
What is the SMILES notation for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea?
The canonical SMILES for 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea is CN1CC(CNS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.
What is the InChIKey of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea?
The InChIKey is CBQFWUVBTILLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-22-10-12(11-22)9-19-26(24,25)21-18(23)20-17-15-6-2-4-13(15)8-14-5-3-7-16(14)17/h8,12,19H,2-7,9-11H2,1H3,(H2,20,21,23).
What are the key properties of 1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea?
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-3-yl)methylsulfamoyl]urea has a molecular weight of 378.50 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 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-[(1-methylazetidin-3-yl)methylsulfamoyl]urea is sourced from PubChem (CID 146394255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).