(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol

C18H31N3O3S — CID 42514858

IUPAC(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCCn1c(CN2CC[C@H](O)C2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H31N3O3S/c1-2-3-10-21-15(13-20-11-9-16(22)14-20)12-19-18(21)25(23,24)17-7-5-4-6-8-17/h12,16-17,22H,2-11,13-14H2,1H3/t16-/m0/s1
InChIKeySAUBDSHCDZGEBV-INIZCTEOSA-N
MW369.53 g/mol
LogP2.36
Rot. Bonds7

About (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol

(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 42514858) has the molecular formula C18H31N3O3S and a molecular weight of 369.53 g/mol. Its IUPAC name is (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol
PubChem CID42514858
Molecular FormulaC18H31N3O3S
Molecular Weight369.53 g/mol
Exact Mass369.21
IUPAC Name(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol
SMILESCCCCn1c(CN2CC[C@H](O)C2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C18H31N3O3S/c1-2-3-10-21-15(13-20-11-9-16(22)14-20)12-19-18(21)25(23,24)17-7-5-4-6-8-17/h12,16-17,22H,2-11,13-14H2,1H3/t16-/m0/s1
InChIKeySAUBDSHCDZGEBV-INIZCTEOSA-N
XLogP2.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 42594408
(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703
2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}isoxazolidine
CID 25277639
1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}azepane
CID 25280377
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-4-isopropylpiperazine
CID 28309810
N-{[2-[(cyclopropylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-ylcyclohexanamine
CID 28330773
(2R*,6S*)-4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-2,6-dimethylmorpholine
CID 28389206
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylpropan-2-amine
CID 30881372

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol (CID 42514858) is (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol is CCCCn1c(CN2CC[C@H](O)C2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is SAUBDSHCDZGEBV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N3O3S/c1-2-3-10-21-15(13-20-11-9-16(22)14-20)12-19-18(21)25(23,24)17-7-5-4-6-8-17/h12,16-17,22H,2-11,13-14H2,1H3/t16-/m0/s1.
What are the key properties of (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol?
(3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 369.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 42514858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).