(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide

C17H24N2O2S — CID 111475040

IUPAC(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@H](O)C1
InChIInChI=1S/C17H24N2O2S/c20-15-8-9-19(11-15)17(21)18-14-5-3-4-13(10-14)12-22-16-6-1-2-7-16/h3-5,10,15-16,20H,1-2,6-9,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyMFHJFWXAIFZJQO-HNNXBMFYSA-N
MW320.46 g/mol
LogP3.46
Rot. Bonds4

About (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111475040) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111475040
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@H](O)C1
InChIInChI=1S/C17H24N2O2S/c20-15-8-9-19(11-15)17(21)18-14-5-3-4-13(10-14)12-22-16-6-1-2-7-16/h3-5,10,15-16,20H,1-2,6-9,11-12H2,(H,18,21)/t15-/m0/s1
InChIKeyMFHJFWXAIFZJQO-HNNXBMFYSA-N
XLogP3.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(cyclopentylsulfanylmethyl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102453
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
N-(3-ethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47032364
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
2-[3-[(3-hydroxypiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345639
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119333538
2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
N-[3-(butanoylamino)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 156609246
(2S)-2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]propanamide;hydrochloride
CID 119329248
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide (CID 111475040) is (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is MFHJFWXAIFZJQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c20-15-8-9-19(11-15)17(21)18-14-5-3-4-13(10-14)12-22-16-6-1-2-7-16/h3-5,10,15-16,20H,1-2,6-9,11-12H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(cyclopentylsulfanylmethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111475040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).