CID 175947001

C20H29KN3O3S — CID 175947001

IUPAC—
SMILESCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.[K]
InChIInChI=1S/C20H29N3O3S.K/c1-23-10-8-14(9-11-23)13-27(25,26)22-20(24)21-19-17-6-2-4-15(17)12-16-5-3-7-18(16)19;/h12,14H,2-11,13H2,1H3,(H2,21,22,24);
InChIKeyVLJWWWXVJHJNBC-UHFFFAOYSA-N
MW430.64 g/mol
LogP2.08
Rot. Bonds4

About CID 175947001

CID 175947001 (PubChem CID 175947001) has the molecular formula C20H29KN3O3S and a molecular weight of 430.64 g/mol.

Molecular Properties

Compound NameCID 175947001
PubChem CID175947001
Molecular FormulaC20H29KN3O3S
Molecular Weight430.64 g/mol
Exact Mass430.16
IUPAC Name—
SMILESCN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.[K]
InChIInChI=1S/C20H29N3O3S.K/c1-23-10-8-14(9-11-23)13-27(25,26)22-20(24)21-19-17-6-2-4-15(17)12-16-5-3-7-18(16)19;/h12,14H,2-11,13H2,1H3,(H2,21,22,24);
InChIKeyVLJWWWXVJHJNBC-UHFFFAOYSA-N
XLogP2.08
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethylsulfonyl)-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 154593397
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-ethylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)acetamide;1-[(1-ethylpiperidin-4-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[(1-ethylpyrrolidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 157249915
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(1-methylpiperidin-3-yl)methylsulfonyl]urea;4-isocyanato-1,2,3,5,6,7-hexahydro-s-indacene;(1-methylpiperidin-3-yl)methanesulfonamide
CID 157378932
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-[(1-methylazetidin-2-yl)methylsulfamoyl]urea
CID 146394288
1-[(1-benzylazetidin-3-yl)methylsulfonyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 155224192
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(4-methylpiperidin-1-yl)sulfonylurea
CID 130356337
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]urea
CID 146394383
N-ethyl-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylsulfamoyl)-N-propylacetamide
CID 147887689
CID 175724048
CID 175724048
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methoxyethylsulfonyl)urea
CID 166047737

Frequently Asked Questions

What is the IUPAC name of CID 175947001?
The IUPAC name of CID 175947001 (CID 175947001) is not available.
What is the SMILES notation for CID 175947001?
The canonical SMILES for CID 175947001 is CN1CCC(CS(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1.[K].
What is the InChIKey of CID 175947001?
The InChIKey is VLJWWWXVJHJNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S.K/c1-23-10-8-14(9-11-23)13-27(25,26)22-20(24)21-19-17-6-2-4-15(17)12-16-5-3-7-18(16)19;/h12,14H,2-11,13H2,1H3,(H2,21,22,24);.
What are the key properties of CID 175947001?
CID 175947001 has a molecular weight of 430.64 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175947001 is sourced from PubChem (CID 175947001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).