[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol

C15H23NOS — CID 97237730

IUPAC[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESC[C@H](CCSc1ccccc1)N1CC[C@H](CO)C1
InChIInChI=1S/C15H23NOS/c1-13(16-9-7-14(11-16)12-17)8-10-18-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3/t13-,14+/m1/s1
InChIKeyQOOUGLHYKBEGKC-KGLIPLIRSA-N
MW265.42 g/mol
LogP2.87
Rot. Bonds6

About [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol

[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 97237730) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
PubChem CID97237730
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
SMILESC[C@H](CCSc1ccccc1)N1CC[C@H](CO)C1
InChIInChI=1S/C15H23NOS/c1-13(16-9-7-14(11-16)12-17)8-10-18-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3/t13-,14+/m1/s1
InChIKeyQOOUGLHYKBEGKC-KGLIPLIRSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-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

2-methyl-N-[[(3R)-1-[(2S)-4-phenylsulfanylbutan-2-yl]piperidin-3-yl]methyl]propanamide
CID 96542414
(2S)-4-[(2R)-4-phenylsulfanylbutan-2-yl]morpholine-2-carboxamide
CID 97236505
N-[1-(4-phenylsulfanylbutan-2-yl)piperidin-3-yl]propanamide
CID 71850304
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
N-benzhydryl-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543768
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
1-[(2R)-4-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 97236507
1-[(2S)-4-phenylsulfanylbutan-2-yl]-1,4-diazepan-5-one
CID 97236506
[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 98084244
N'-hydroxy-3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropanimidamide
CID 112625722
[1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidin-3-yl]methanol
CID 112624382

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol (CID 97237730) is [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol is C[C@H](CCSc1ccccc1)N1CC[C@H](CO)C1.
What is the InChIKey of [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is QOOUGLHYKBEGKC-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H23NOS/c1-13(16-9-7-14(11-16)12-17)8-10-18-15-5-3-2-4-6-15/h2-6,13-14,17H,7-12H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 265.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 97237730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).