CID 175744129

C19H26KN4O3S — CID 175744129

IUPAC—
SMILESCN1CC2(CCN2S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C19H26N4O3S.K/c1-22-11-19(12-22)8-9-23(19)27(25,26)21-18(24)20-17-15-6-2-4-13(15)10-14-5-3-7-16(14)17;/h10H,2-9,11-12H2,1H3,(H2,20,21,24);
InChIKeyWLLIOCWJKWHKSS-UHFFFAOYSA-N
MW429.61 g/mol
LogP1.04
Rot. Bonds3

About CID 175744129

CID 175744129 (PubChem CID 175744129) has the molecular formula C19H26KN4O3S and a molecular weight of 429.61 g/mol.

Molecular Properties

Compound NameCID 175744129
PubChem CID175744129
Molecular FormulaC19H26KN4O3S
Molecular Weight429.61 g/mol
Exact Mass429.14
IUPAC Name—
SMILESCN1CC2(CCN2S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K]
InChIInChI=1S/C19H26N4O3S.K/c1-22-11-19(12-22)8-9-23(19)27(25,26)21-18(24)20-17-15-6-2-4-13(15)10-14-5-3-7-16(14)17;/h10H,2-9,11-12H2,1H3,(H2,20,21,24);
InChIKeyWLLIOCWJKWHKSS-UHFFFAOYSA-N
XLogP1.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]urea
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1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-piperidin-1-ylsulfonylurea
CID 130356216
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
CID 146394288
CID 175947001
CID 175947001
CID 175744007
CID 175744007
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylurea
CID 130356337
1-(3,5-dimethylmorpholin-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 130356184
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-(2-methoxyethylsulfonyl)urea
CID 166047737
CID 175947056
CID 175947056
1-[1-(azetidin-1-ylmethyl)cyclopropyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;molecular hydrogen
CID 142529671
CID 175753184
CID 175753184

Frequently Asked Questions

What is the IUPAC name of CID 175744129?
The IUPAC name of CID 175744129 (CID 175744129) is not available.
What is the SMILES notation for CID 175744129?
The canonical SMILES for CID 175744129 is CN1CC2(CCN2S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)C1.[K].
What is the InChIKey of CID 175744129?
The InChIKey is WLLIOCWJKWHKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S.K/c1-22-11-19(12-22)8-9-23(19)27(25,26)21-18(24)20-17-15-6-2-4-13(15)10-14-5-3-7-16(14)17;/h10H,2-9,11-12H2,1H3,(H2,20,21,24);.
What are the key properties of CID 175744129?
CID 175744129 has a molecular weight of 429.61 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175744129 is sourced from PubChem (CID 175744129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).