4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C15H18N2O4S — CID 164637393

IUPAC4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C15H18N2O4S/c1-10(8-16)9-17-22(20,21)14-7-12(15(18)19)6-11-4-2-3-5-13(11)14/h6-7,10,17H,2-5,9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyDMMUUUSOFUZDTR-SNVBAGLBSA-N
MW322.39 g/mol
LogP1.70
Rot. Bonds5

About 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 164637393) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID164637393
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC Name4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESC[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2
InChIInChI=1S/C15H18N2O4S/c1-10(8-16)9-17-22(20,21)14-7-12(15(18)19)6-11-4-2-3-5-13(11)14/h6-7,10,17H,2-5,9H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyDMMUUUSOFUZDTR-SNVBAGLBSA-N
XLogP1.70
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-({[(2,3,5,6-Tetramethylphenyl)sulfonyl]amino}methyl)benzoic acid
CID 852335
3,4-Dimethyl-5-sulfamoylbenzoic acid
CID 2994209
2,4-Dimethyl-5-sulfamoylbenzoic acid
CID 16776875
2'-Acetyl-5-[(isopropylamino)sulfonyl]biphenyl-3-carboxylic acid
CID 56861274
2'-Cyano-5-[(isopropylamino)sulfonyl]biphenyl-3-carboxylic acid
CID 56864980
2'-Fluoro-5-[(isopropylamino)sulfonyl]biphenyl-3-carboxylic acid
CID 56871086
2'-(Hydroxymethyl)-5-[(isopropylamino)sulfonyl]biphenyl-3-carboxylic acid
CID 56871507
3,4-Dimethyl-5-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
CID 4962403
4-(Chlorosulfonyl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 16771128
3-[(Cyanomethyl)sulfamoyl]-4-methylbenzoic acid
CID 45336113
5-{[(2-Methoxyethyl)amino]sulfonyl}-2',6'-dimethylbiphenyl-3-carboxylic acid
CID 56861245
4-[(4S)-4-(2-amino-2-oxoethyl)azepan-1-yl]sulfonyl-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 164635924

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 164637393) is 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is C[C@H](C#N)CNS(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2.
What is the InChIKey of 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is DMMUUUSOFUZDTR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-10(8-16)9-17-22(20,21)14-7-12(15(18)19)6-11-4-2-3-5-13(11)14/h6-7,10,17H,2-5,9H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 322.39 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-cyanopropyl]sulfamoyl]-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 164637393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).