4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C15H20N4O3S2 — CID 121152261

IUPAC4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C15H20N4O3S2/c1-18-9-6-16-15(18)24(21,22)13-4-7-19(8-5-13)14(20)17-11-12-3-2-10-23-12/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,17,20)
InChIKeyREDTXVWEHAOVQZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.63
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 121152261) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID121152261
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)NCc2cccs2)CC1
InChIInChI=1S/C15H20N4O3S2/c1-18-9-6-16-15(18)24(21,22)13-4-7-19(8-5-13)14(20)17-11-12-3-2-10-23-12/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,17,20)
InChIKeyREDTXVWEHAOVQZ-UHFFFAOYSA-N
XLogP1.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 138379812
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71781115
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
(3S)-3-(3-methoxypyrazin-2-yl)oxy-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 100612439
4-[(3-chloro-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71798885
4-[(3-bromo-2-pyridinyl)oxy]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71799517
(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-(2-methylpyrazole-3-carbonyl)-N-(thiophen-2-ylmethyl)-1,4-diazepane-1-carboxamide
CID 138378141

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 121152261) is 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)NCc2cccs2)CC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is REDTXVWEHAOVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-18-9-6-16-15(18)24(21,22)13-4-7-19(8-5-13)14(20)17-11-12-3-2-10-23-12/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3,(H,17,20).
What are the key properties of 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121152261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).