N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

C18H26N2O2S — CID 111470923

IUPACN-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(CSc2ccccc2)C1
InChIInChI=1S/C18H26N2O2S/c21-16-8-6-15(7-9-16)19-18(22)20-11-10-14(12-20)13-23-17-4-2-1-3-5-17/h1-5,14-16,21H,6-13H2,(H,19,22)
InChIKeyMJIVZYLCQNDAOE-UHFFFAOYSA-N
MW334.48 g/mol
LogP3.11
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide

N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (PubChem CID 111470923) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
PubChem CID111470923
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC NameN-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)N1CCC(CSc2ccccc2)C1
InChIInChI=1S/C18H26N2O2S/c21-16-8-6-15(7-9-16)19-18(22)20-11-10-14(12-20)13-23-17-4-2-1-3-5-17/h1-5,14-16,21H,6-13H2,(H,19,22)
InChIKeyMJIVZYLCQNDAOE-UHFFFAOYSA-N
XLogP3.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide 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

(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
CID 110672492
[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 96568451
(2R)-2-methylsulfanyl-1-[(3R)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 96568475
2-amino-2-phenyl-1-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 120593719
5-[3-(phenylsulfanylmethyl)pyrrolidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685819
1-[3-(phenylsulfanylmethyl)piperidin-1-yl]ethanone
CID 110672438
4-[(3-benzylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023397
(2S)-2-amino-3-phenyl-1-[(3S)-3-(phenylsulfanylmethyl)pyrrolidin-1-yl]propan-1-one
CID 99849554
N-cyclopentyl-3-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111749331
cyclopropyl-[3-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672442
N,N'-dimethyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111748673

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide (CID 111470923) is N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is O=C(NC1CCC(O)CC1)N1CCC(CSc2ccccc2)C1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is MJIVZYLCQNDAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2S/c21-16-8-6-15(7-9-16)19-18(22)20-11-10-14(12-20)13-23-17-4-2-1-3-5-17/h1-5,14-16,21H,6-13H2,(H,19,22).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide?
N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 334.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111470923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).