1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide

C12H21N5O3S — CID 63978894

IUPAC1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-3-14-11(18)9-4-6-17(7-5-9)21(19,20)12-10(13)15-8-16(12)2/h8-9H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyGVFKVAOHCDEKAQ-UHFFFAOYSA-N
MW315.40 g/mol
LogP-0.46
Rot. Bonds4

About 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide

1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide (PubChem CID 63978894) has the molecular formula C12H21N5O3S and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
PubChem CID63978894
Molecular FormulaC12H21N5O3S
Molecular Weight315.40 g/mol
Exact Mass315.14
IUPAC Name1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide
SMILESCCNC(=O)C1CCN(S(=O)(=O)c2c(N)ncn2C)CC1
InChIInChI=1S/C12H21N5O3S/c1-3-14-11(18)9-4-6-17(7-5-9)21(19,20)12-10(13)15-8-16(12)2/h8-9H,3-7,13H2,1-2H3,(H,14,18)
InChIKeyGVFKVAOHCDEKAQ-UHFFFAOYSA-N
XLogP-0.46
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61115622
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
1-[(2-chloro-4-pyridinyl)sulfonyl]-N-ethylpiperidine-4-carboxamide
CID 61045541
N-ethyl-1-propan-2-ylsulfonylpiperidine-4-carboxamide
CID 61356516
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207
N-ethyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 110350939
1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 27234823
5-(3-methoxy-4-methylpiperidin-1-yl)sulfonyl-1-methylimidazol-4-amine
CID 102955222
1-methyl-5-(3,4,5-trimethylpiperazin-1-yl)sulfonylimidazol-4-amine
CID 114542823
1-(1,3-benzodioxol-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
CID 110350937
1-(benzenesulfonyl)-N-[2-(ethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 18110259
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide (CID 63978894) is 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide is CCNC(=O)C1CCN(S(=O)(=O)c2c(N)ncn2C)CC1.
What is the InChIKey of 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide?
The InChIKey is GVFKVAOHCDEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3S/c1-3-14-11(18)9-4-6-17(7-5-9)21(19,20)12-10(13)15-8-16(12)2/h8-9H,3-7,13H2,1-2H3,(H,14,18).
What are the key properties of 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide?
1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide has a molecular weight of 315.40 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-3-methylimidazol-4-yl)sulfonyl-N-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 63978894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).