N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide

C13H24N2OS — CID 119612086

IUPACN-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCSCC1
InChIInChI=1S/C13H24N2OS/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyAAKAMKLJVSVTNS-UHFFFAOYSA-N
MW256.41 g/mol
LogP1.76
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide

N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide (PubChem CID 119612086) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
PubChem CID119612086
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide
SMILESNCC1CCCCC1NC(=O)C1CCSCC1
InChIInChI=1S/C13H24N2OS/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h10-12H,1-9,14H2,(H,15,16)
InChIKeyAAKAMKLJVSVTNS-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]oxane-4-carboxamide;hydrochloride
CID 119600451
N-[2-(aminomethyl)cyclohexyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119611127
[(1R,2S)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566827
[(1S,2R)-2-(aminomethyl)cyclohexyl]carbamic acid
CID 124566826
N-[2-(aminomethyl)cyclohexyl]-1-ethylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119612379
N-[2-(aminomethyl)cyclohexyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119611735
N-[2-(aminomethyl)cyclohexyl]-4-[(2-cyclohexylacetyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119610772
4-N-[2-(aminomethyl)cyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119610286
1-[2-(aminomethyl)cyclohexyl]-3-cyclobutylurea
CID 116658641
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
N-[2-(hydroxymethyl)cyclohexyl]cyclooctanecarboxamide
CID 103860474
N-[2-(aminomethyl)cyclopentyl]-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119604175

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide (CID 119612086) is N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide is NCC1CCCCC1NC(=O)C1CCSCC1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide?
The InChIKey is AAKAMKLJVSVTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c14-9-11-3-1-2-4-12(11)15-13(16)10-5-7-17-8-6-10/h10-12H,1-9,14H2,(H,15,16).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide?
N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]thiane-4-carboxamide is sourced from PubChem (CID 119612086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).