N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide

C13H24N2OS — CID 80596316

IUPACN-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1)C1CCC(N)CC1
InChIInChI=1S/C13H24N2OS/c1-15(11-7-5-10(14)6-8-11)13(16)12-4-2-3-9-17-12/h10-12H,2-9,14H2,1H3
InChIKeyNFPWSZAFRDQUSB-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.00
Rot. Bonds2

About N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide

N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide (PubChem CID 80596316) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide
PubChem CID80596316
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide
SMILESCN(C(=O)C1CCCCS1)C1CCC(N)CC1
InChIInChI=1S/C13H24N2OS/c1-15(11-7-5-10(14)6-8-11)13(16)12-4-2-3-9-17-12/h10-12H,2-9,14H2,1H3
InChIKeyNFPWSZAFRDQUSB-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-N-methylthiolane-2-carboxamide
CID 104974581
N-(3-amino-2,2-dimethylpropyl)-N-methylthiane-2-carboxamide
CID 80594937
3-amino-N-cyclopentyl-N-methylcyclopentane-1-carboxamide;hydrochloride
CID 119696942
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
thiane-2-carboxamide
CID 54328325
N-(4-aminocyclohexyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 81485103
1-(4-aminocyclohexyl)-3-cyclohexyl-1-methylurea
CID 79121066
4-[methyl(thiane-2-carbonyl)amino]butanoic acid
CID 80594247
N-(4-aminocyclohexyl)-N,2-dimethyloxolane-3-carboxamide
CID 79750899
2-amino-1-(thian-2-yl)propan-1-one
CID 115014219
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
N-(4-aminocyclohexyl)-N-methylpiperidine-1-carboxamide
CID 79154903

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide (CID 80596316) is N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide is CN(C(=O)C1CCCCS1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide?
The InChIKey is NFPWSZAFRDQUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-15(11-7-5-10(14)6-8-11)13(16)12-4-2-3-9-17-12/h10-12H,2-9,14H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide?
N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide has a molecular weight of 256.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-methylthiane-2-carboxamide is sourced from PubChem (CID 80596316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).