(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide

C12H18N4O4S — CID 172908581

IUPAC(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide
SMILESCOc1ncccc1NS(=O)(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1
InChIKeyBWOXLKDHBJDGAX-VIFPVBQESA-N
MW314.37 g/mol
LogP-0.06
Rot. Bonds5

About (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide

(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide (PubChem CID 172908581) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide
PubChem CID172908581
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide
SMILESCOc1ncccc1NS(=O)(=O)N1CCC[C@H](C(N)=O)C1
InChIInChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1
InChIKeyBWOXLKDHBJDGAX-VIFPVBQESA-N
XLogP-0.06
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
N-(2-ethoxy-3-pyridinyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55678773
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
methyl 1-[(2-amino-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 115533411
(3S)-1-methylsulfonyl-N-(2-phenoxy-3-pyridinyl)piperidine-3-carboxamide
CID 51942549
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-3-carboxamide
CID 54895620
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide (CID 172908581) is (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide is COc1ncccc1NS(=O)(=O)N1CCC[C@H](C(N)=O)C1.
What is the InChIKey of (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide?
The InChIKey is BWOXLKDHBJDGAX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-20-12-10(5-2-6-14-12)15-21(18,19)16-7-3-4-9(8-16)11(13)17/h2,5-6,9,15H,3-4,7-8H2,1H3,(H2,13,17)/t9-/m0/s1.
What are the key properties of (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide?
(3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2-methoxy-3-pyridinyl)sulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 172908581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).