N-cyclohexyl-3-methylthiomorpholine-4-carboxamide

C12H22N2OS — CID 115642098

IUPACN-cyclohexyl-3-methylthiomorpholine-4-carboxamide
SMILESCC1CSCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2OS/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyIAROVADZEKFSIP-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.47
Rot. Bonds1

About N-cyclohexyl-3-methylthiomorpholine-4-carboxamide

N-cyclohexyl-3-methylthiomorpholine-4-carboxamide (PubChem CID 115642098) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-cyclohexyl-3-methylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methylthiomorpholine-4-carboxamide
PubChem CID115642098
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-cyclohexyl-3-methylthiomorpholine-4-carboxamide
SMILESCC1CSCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2OS/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15)
InChIKeyIAROVADZEKFSIP-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-methylpiperidine-1-carboxamide;ethane
CID 142002534
N-cyclobutyl-2-methylpyrrolidine-1-carboxamide
CID 115664840
N-cyclopentylthiomorpholine-4-carboxamide
CID 115582925
N-ethoxy-3-methylthiomorpholine-4-carboxamide
CID 130629111
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
N-[4-[(dimethylamino)methyl]cyclohexyl]-5-methyl-1,4-thiazepane-4-carboxamide
CID 91662621
1-[[(3-methylthiomorpholine-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444811
N-cyclobutyl-2,5-dimethylpiperidine-1-carboxamide
CID 115664848
4-[(2-methylcyclohexyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82905186
2-[4-[(2-methylcycloheptyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 66421388
N-cyclohexylthiolane-3-carboxamide
CID 64590364

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methylthiomorpholine-4-carboxamide?
The IUPAC name of N-cyclohexyl-3-methylthiomorpholine-4-carboxamide (CID 115642098) is N-cyclohexyl-3-methylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-methylthiomorpholine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-3-methylthiomorpholine-4-carboxamide is CC1CSCCN1C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-methylthiomorpholine-4-carboxamide?
The InChIKey is IAROVADZEKFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-10-9-16-8-7-14(10)12(15)13-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,13,15).
What are the key properties of N-cyclohexyl-3-methylthiomorpholine-4-carboxamide?
N-cyclohexyl-3-methylthiomorpholine-4-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methylthiomorpholine-4-carboxamide is sourced from PubChem (CID 115642098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).