N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide

C13H24N2O3S — CID 119818891

IUPACN-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide
SMILESCCS(=O)C1CCCC(NC(=O)C2COCCN2)C1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17)11-5-3-4-10(8-11)15-13(16)12-9-18-7-6-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyMYZCSFLQRRRGPR-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.17
Rot. Bonds4

About N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide

N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide (PubChem CID 119818891) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide
PubChem CID119818891
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide
SMILESCCS(=O)C1CCCC(NC(=O)C2COCCN2)C1
InChIInChI=1S/C13H24N2O3S/c1-2-19(17)11-5-3-4-10(8-11)15-13(16)12-9-18-7-6-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)
InChIKeyMYZCSFLQRRRGPR-UHFFFAOYSA-N
XLogP0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
1-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109439505
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
(3R)-N-pyrrolidin-3-ylmorpholine-3-carboxamide;hydrochloride
CID 130748088
(3S)-N-[(3S,5R)-1-cyclopropyl-5-methylpyrrolidin-3-yl]morpholine-3-carboxamide
CID 124693849
(3S)-N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]morpholine-3-carboxamide
CID 125146580
N-(2-methylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 119676476
1-(3-ethylsulfinylcyclohexyl)-3-(2-hydroxycyclohexyl)urea
CID 111841041
N-(1-cyclopropylpyrrolidin-3-yl)morpholine-3-carboxamide;dihydrochloride
CID 119864795
(3S)-N-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]morpholine-3-carboxamide
CID 124683276
N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-3-carboxamide
CID 107222110
1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82762632

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide (CID 119818891) is N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide is CCS(=O)C1CCCC(NC(=O)C2COCCN2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide?
The InChIKey is MYZCSFLQRRRGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-2-19(17)11-5-3-4-10(8-11)15-13(16)12-9-18-7-6-14-12/h10-12,14H,2-9H2,1H3,(H,15,16).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide?
N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)morpholine-3-carboxamide is sourced from PubChem (CID 119818891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).