(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide

C17H28N4O3S — CID 25273965

IUPAC(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CC1CCCCC1
InChIInChI=1S/C17H28N4O3S/c1-25(23,24)17-19-10-14(12-20-9-5-8-15(20)16(18)22)21(17)11-13-6-3-2-4-7-13/h10,13,15H,2-9,11-12H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeySJQPZQBKHXSFSZ-HNNXBMFYSA-N
MW368.50 g/mol
LogP1.32
Rot. Bonds6

About (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide

(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 25273965) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID25273965
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CC1CCCCC1
InChIInChI=1S/C17H28N4O3S/c1-25(23,24)17-19-10-14(12-20-9-5-8-15(20)16(18)22)21(17)11-13-6-3-2-4-7-13/h10,13,15H,2-9,11-12H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeySJQPZQBKHXSFSZ-HNNXBMFYSA-N
XLogP1.32
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinecarboxamide
CID 45199276
1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 45220137
1-(cyclohexylmethyl)-2-(methylsulfonyl)-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 25273953
1-({1-(cyclohexylmethyl)-2-[(cyclopropylmethyl)sulfonyl]-1H-imidazol-5-yl}methyl)-L-prolinamide
CID 42509391
5-{[{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}(isopropyl)amino]methyl}-2-pyrrolidinone
CID 45170410
1-(1-{[1-(cyclohexylmethyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)ethanone
CID 45185699
N-[(1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-piperidinyl)methyl]acetamide
CID 45190169
1-ethyl-4-{[{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}(methyl)amino]methyl}-2-pyrrolidinone
CID 45204959
2-(1-isopropyl-4-piperidinyl)-N-{[1-methyl-2-(methylthio)-1H-imidazol-5-yl]methyl}acetamide
CID 72925285
1-{[1-butyl-2-(cyclohexylsulfonyl)-1H-imidazol-5-yl]methyl}-4-piperidinecarboxamide
CID 25287027
(4R)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 26391032
(4S)-4-[[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl-methylamino]methyl]-1-ethylpyrrolidin-2-one
CID 26391034

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide (CID 25273965) is (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide is CS(=O)(=O)c1ncc(CN2CCC[C@H]2C(N)=O)n1CC1CCCCC1.
What is the InChIKey of (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SJQPZQBKHXSFSZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-25(23,24)17-19-10-14(12-20-9-5-8-15(20)16(18)22)21(17)11-13-6-3-2-4-7-13/h10,13,15H,2-9,11-12H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[3-(cyclohexylmethyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25273965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).