N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide

C13H24N2OS — CID 82918098

IUPACN-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
SMILESC[C@H](NC(=O)C1CSCCN1)C1CCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyKYQWWKBQBIDIDD-NUHJPDEHSA-N
MW256.41 g/mol
LogP1.78
Rot. Bonds3

About N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide

N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide (PubChem CID 82918098) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
PubChem CID82918098
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide
SMILESC[C@H](NC(=O)C1CSCCN1)C1CCCCC1
InChIInChI=1S/C13H24N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyKYQWWKBQBIDIDD-NUHJPDEHSA-N
XLogP1.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81390656
(2S)-N-[(1S)-1-cyclopentylethyl]pyrrolidine-2-carboxamide
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(2R)-N-[(1R)-1-cyclopentylethyl]piperidine-2-carboxamide
CID 104914395
N-[1-(oxolan-2-yl)ethyl]thiomorpholine-3-carboxamide
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N-(3-methylbutan-2-yl)thiomorpholine-3-carboxamide
CID 82905472
N-(1-cyclohexylethyl)morpholine-3-carboxamide;hydrochloride
CID 119705705
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
N-pentan-2-ylthiomorpholine-3-carboxamide
CID 82906662
N-(3-ethylpentan-2-yl)thiomorpholine-3-carboxamide
CID 82916572
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide (CID 82918098) is N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide is C[C@H](NC(=O)C1CSCCN1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide?
The InChIKey is KYQWWKBQBIDIDD-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10(11-5-3-2-4-6-11)15-13(16)12-9-17-8-7-14-12/h10-12,14H,2-9H2,1H3,(H,15,16)/t10-,12?/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide?
N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 82918098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).