(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide

C14H21N3O4S — CID 125176909

IUPAC(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
SMILESCO[C@H]1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H21N3O4S/c1-10-5-6-12(22(15,19)20)8-13(10)16-14(18)17-7-3-4-11(9-17)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1
InChIKeyOEQPTFLGKXKESQ-NSHDSACASA-N
MW327.41 g/mol
LogP1.29
Rot. Bonds3

About (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide

(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide (PubChem CID 125176909) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
PubChem CID125176909
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide
SMILESCO[C@H]1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1
InChIInChI=1S/C14H21N3O4S/c1-10-5-6-12(22(15,19)20)8-13(10)16-14(18)17-7-3-4-11(9-17)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1
InChIKeyOEQPTFLGKXKESQ-NSHDSACASA-N
XLogP1.29
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
N-(2-chloro-5-sulfamoylphenyl)-3-propoxypiperidine-1-carboxamide
CID 72941296
N-(4-fluoro-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118763399
(3R)-N-(2,4-dimethyl-5-nitrophenyl)-3-methoxypiperidine-1-carboxamide
CID 99580240
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methyl-5-sulfamoylphenyl)pyrrolidine-1-carboxamide
CID 72890884
N-(2-methyl-4-sulfamoylphenyl)piperidine-1-carboxamide
CID 79155124
3-[(3-methoxycyclohexyl)amino]-4-methylbenzenesulfonamide
CID 106871906
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
4-(2-methyl-5-sulfamoylanilino)piperidine-1-carboxamide
CID 43790791
(3R)-N-(2-methyl-5-methylsulfonylphenyl)-3-(3-methylphenyl)piperidine-1-carboxamide
CID 125177264
2-hydroxy-3-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102963077

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide (CID 125176909) is (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide is CO[C@H]1CCCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)C1.
What is the InChIKey of (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide?
The InChIKey is OEQPTFLGKXKESQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-10-5-6-12(22(15,19)20)8-13(10)16-14(18)17-7-3-4-11(9-17)21-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,18)(H2,15,19,20)/t11-/m0/s1.
What are the key properties of (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide?
(3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-N-(2-methyl-5-sulfamoylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 125176909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).