N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide

C13H24N2O2S — CID 113359665

IUPACN-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CSCCN1
InChIInChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)9-15-12(17)11-8-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyLJLKBEWOPIKMMU-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.75
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide

N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide (PubChem CID 113359665) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
PubChem CID113359665
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC NameN-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide
SMILESO=C(NCC1(CO)CCCCC1)C1CSCCN1
InChIInChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)9-15-12(17)11-8-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyLJLKBEWOPIKMMU-UHFFFAOYSA-N
XLogP0.75
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(thiomorpholine-3-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 82918104
N-[(1-ethylcyclopentyl)methyl]thiomorpholine-3-carboxamide
CID 114125067
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 81434148
N-[1-(hydroxymethyl)cyclopentyl]thiomorpholine-3-carboxamide
CID 82908673
N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 113293938
(2S)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 104914457
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiolane-3-carboxamide
CID 115362677
4-[(thiomorpholine-3-carbonylamino)methyl]oxane-4-carboxylic acid
CID 82917777
2-[1-(thiomorpholine-3-carbonylamino)cyclopentyl]acetic acid
CID 82917741
N-(2-aminoethyl)thiomorpholine-3-carboxamide
CID 82908482
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
N-prop-2-ynylthiomorpholine-3-carboxamide
CID 82905662

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide (CID 113359665) is N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide is O=C(NCC1(CO)CCCCC1)C1CSCCN1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide?
The InChIKey is LJLKBEWOPIKMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c16-10-13(4-2-1-3-5-13)9-15-12(17)11-8-18-7-6-14-11/h11,14,16H,1-10H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide?
N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide has a molecular weight of 272.41 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclohexyl]methyl]thiomorpholine-3-carboxamide is sourced from PubChem (CID 113359665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).