(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide

C10H15ClN4O3S — CID 35329889

IUPAC(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-5-3-2-4-7(15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)/t7-/m1/s1
InChIKeyMKSJTZAIGCMHEY-SSDOTTSWSA-N
MW306.78 g/mol
LogP0.10
Rot. Bonds3

About (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide

(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide (PubChem CID 35329889) has the molecular formula C10H15ClN4O3S and a molecular weight of 306.78 g/mol. Its IUPAC name is (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
PubChem CID35329889
Molecular FormulaC10H15ClN4O3S
Molecular Weight306.78 g/mol
Exact Mass306.06
IUPAC Name(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide
SMILESCn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1Cl
InChIInChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-5-3-2-4-7(15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)/t7-/m1/s1
InChIKeyMKSJTZAIGCMHEY-SSDOTTSWSA-N
XLogP0.10
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.78
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 43415310
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxylate
CID 61041426
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpyrrolidine-2-carboxylate
CID 43415551
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 35610424
(4aS,8aS)-4-(5-chloro-1-methylimidazol-4-yl)sulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 51891765
(2S)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidine-2-carboxamide
CID 92952190
1-[(6-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54941717
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980224
1-[(2-chloro-4-pyridinyl)sulfonyl]piperidine-2-carboxamide
CID 54980474
1-(5-chloro-1-methylimidazol-4-yl)sulfonyl-4-methylpiperidin-3-ol
CID 103896804
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide?
The IUPAC name of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide (CID 35329889) is (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide is Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2C(N)=O)c1Cl.
What is the InChIKey of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide?
The InChIKey is MKSJTZAIGCMHEY-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15ClN4O3S/c1-14-6-13-10(8(14)11)19(17,18)15-5-3-2-4-7(15)9(12)16/h6-7H,2-5H2,1H3,(H2,12,16)/t7-/m1/s1.
What are the key properties of (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide?
(2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide has a molecular weight of 306.78 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-2-carboxamide is sourced from PubChem (CID 35329889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).