[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol

C14H25N3O3S — CID 42529864

IUPAC[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)Cn1c(CN2CCC[C@H]2CO)cnc1S(C)(=O)=O
InChIInChI=1S/C14H25N3O3S/c1-11(2)8-17-13(7-15-14(17)21(3,19)20)9-16-6-4-5-12(16)10-18/h7,11-12,18H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyPBFIAKIVUYMAAG-LBPRGKRZSA-N
MW315.44 g/mol
LogP0.90
Rot. Bonds6

About [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol

[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 42529864) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID42529864
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCC(C)Cn1c(CN2CCC[C@H]2CO)cnc1S(C)(=O)=O
InChIInChI=1S/C14H25N3O3S/c1-11(2)8-17-13(7-15-14(17)21(3,19)20)9-16-6-4-5-12(16)10-18/h7,11-12,18H,4-6,8-10H2,1-3H3/t12-/m0/s1
InChIKeyPBFIAKIVUYMAAG-LBPRGKRZSA-N
XLogP0.90
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol 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

(1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-piperidinyl)methanol
CID 45216013
[(2S,4S)-4-fluoro-1-[(3-methylimidazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 137844868
((2S)-1-{[2-(cycloheptylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)methanol
CID 25274703
1-(2-methoxyethyl)-2-[(3-methylbutyl)sulfonyl]-5-(1-pyrrolidinylmethyl)-1H-imidazole
CID 42094398
(3S)-1-{[1-butyl-2-(cyclohexylsulfonyl)-1H-imidazol-5-yl]methyl}-3-pyrrolidinol
CID 42514858
methyl 1-{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-L-prolinate
CID 42515267
[(2S)-1-({1-butyl-2-[(4-methylpentyl)sulfonyl]-1H-imidazol-5-yl}methyl)-2-pyrrolidinyl]methanol
CID 42516192
2-[{[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}(isopropyl)amino]ethanol
CID 42529944
(cyclopropylmethyl){[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}propylamine
CID 45167796
(cyclobutylmethyl){[1-isobutyl-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}(tetrahydro-2-furanylmethyl)amine
CID 45177012
N-{[2-(isopropylsulfonyl)-1-(3-methylbutyl)-1H-imidazol-5-yl]methyl}-N-methyltetrahydro-3-furanamine
CID 45186470
N,N-diethyl-1-{[1-(3-methoxypropyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-3-pyrrolidinamine
CID 45191314

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol (CID 42529864) is [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is CC(C)Cn1c(CN2CCC[C@H]2CO)cnc1S(C)(=O)=O.
What is the InChIKey of [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is PBFIAKIVUYMAAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-11(2)8-17-13(7-15-14(17)21(3,19)20)9-16-6-4-5-12(16)10-18/h7,11-12,18H,4-6,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol?
[(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 315.44 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[3-(2-methylpropyl)-2-methylsulfonylimidazol-4-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 42529864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).