N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide

C16H29NO3S — CID 111912577

IUPACN-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCCS(=O)C1CCCCC1NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H29NO3S/c1-2-21(20)14-9-5-4-8-13(14)17-15(18)12-16(19)10-6-3-7-11-16/h13-14,19H,2-12H2,1H3,(H,17,18)
InChIKeyDOKCWVHZXLSEIN-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.27
Rot. Bonds5

About N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide

N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111912577) has the molecular formula C16H29NO3S and a molecular weight of 315.48 g/mol. Its IUPAC name is N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111912577
Molecular FormulaC16H29NO3S
Molecular Weight315.48 g/mol
Exact Mass315.19
IUPAC NameN-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide
SMILESCCS(=O)C1CCCCC1NC(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H29NO3S/c1-2-21(20)14-9-5-4-8-13(14)17-15(18)12-16(19)10-6-3-7-11-16/h13-14,19H,2-12H2,1H3,(H,17,18)
InChIKeyDOKCWVHZXLSEIN-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
CID 110125960
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016149
(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 96995662
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
N-(2-ethylsulfinylcyclohexyl)-3-hydroxypiperidine-1-carboxamide
CID 71923149
N-(4,4-dimethylcyclohexyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540205
3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111934138
1-ethyl-3-(2-ethylsulfinylcyclohexyl)-1-(2-methylprop-2-enyl)urea
CID 75377549
3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
CID 71923151
N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75377552
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43529605
2-(1-hydroxycyclohexyl)-N-(3-methylcyclohexyl)acetamide
CID 111464407

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide (CID 111912577) is N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide is CCS(=O)C1CCCCC1NC(=O)CC1(O)CCCCC1.
What is the InChIKey of N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is DOKCWVHZXLSEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3S/c1-2-21(20)14-9-5-4-8-13(14)17-15(18)12-16(19)10-6-3-7-11-16/h13-14,19H,2-12H2,1H3,(H,17,18).
What are the key properties of N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide?
N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 315.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfinylcyclohexyl)-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111912577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).