N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

C14H26N2O2S — CID 111841200

IUPACN-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCSC1CCCCC1NC(=O)N1CCC(CO)C1
InChIInChI=1S/C14H26N2O2S/c1-2-19-13-6-4-3-5-12(13)15-14(18)16-8-7-11(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyZLJQWUJRDFOZTE-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.07
Rot. Bonds4

About N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide

N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 111841200) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID111841200
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCCSC1CCCCC1NC(=O)N1CCC(CO)C1
InChIInChI=1S/C14H26N2O2S/c1-2-19-13-6-4-3-5-12(13)15-14(18)16-8-7-11(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18)
InChIKeyZLJQWUJRDFOZTE-UHFFFAOYSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-dioxolan-2-yl)-N-[(1R,2S)-2-ethylsulfanylcyclohexyl]piperidine-1-carboxamide
CID 129397247
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
2-[[1-[(2-ethylsulfanylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122005464
(3R)-3-(hydroxymethyl)-N-[(1S,2S)-2-propan-2-ylcyclohexyl]piperidine-1-carboxamide
CID 100857700
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
3-(hydroxymethyl)-N-propylpyrrolidine-1-carboxamide
CID 62371161
2-amino-N-(2-ethylsulfanylcyclohexyl)acetamide
CID 119337962
N-(2,2-dimethylcyclopentyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111841157
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
2-amino-N-(2-ethylsulfanylcyclohexyl)propanamide;hydrochloride
CID 119337965
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 111841200) is N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is CCSC1CCCCC1NC(=O)N1CCC(CO)C1.
What is the InChIKey of N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZLJQWUJRDFOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-2-19-13-6-4-3-5-12(13)15-14(18)16-8-7-11(9-16)10-17/h11-13,17H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 286.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclohexyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 111841200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).