N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H26N2O3S — CID 75377552

IUPACN-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)N1CCCC1CO
InChIInChI=1S/C14H26N2O3S/c1-2-20(19)13-8-4-3-7-12(13)15-14(18)16-9-5-6-11(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyHFJCTNWWKDZRPA-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.23
Rot. Bonds4

About N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 75377552) has the molecular formula C14H26N2O3S and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID75377552
Molecular FormulaC14H26N2O3S
Molecular Weight302.44 g/mol
Exact Mass302.17
IUPAC NameN-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)N1CCCC1CO
InChIInChI=1S/C14H26N2O3S/c1-2-20(19)13-8-4-3-7-12(13)15-14(18)16-9-5-6-11(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyHFJCTNWWKDZRPA-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 124840665
3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
CID 71923151
(2S)-N-cyclooctyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111427691
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111934138
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 96995680
2-(hydroxymethyl)-N-propylpiperidine-1-carboxamide
CID 43574129
2-(hydroxymethyl)-N-(3-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 111427710
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 116635681
cis-(1R,3S)-3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 106320170
2-(hydroxymethyl)-N-(3-methylsulfanylcyclohexyl)pyrrolidine-1-carboxamide
CID 111428374

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 75377552) is N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CCS(=O)C1CCCCC1NC(=O)N1CCCC1CO.
What is the InChIKey of N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is HFJCTNWWKDZRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S/c1-2-20(19)13-8-4-3-7-12(13)15-14(18)16-9-5-6-11(16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75377552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).