2-methyl-N-(2-methylcyclohexyl)thian-3-amine

C13H25NS — CID 79956809

IUPAC2-methyl-N-(2-methylcyclohexyl)thian-3-amine
SMILESCC1CCCCC1NC1CCCSC1C
InChIInChI=1S/C13H25NS/c1-10-6-3-4-7-12(10)14-13-8-5-9-15-11(13)2/h10-14H,3-9H2,1-2H3
InChIKeyLHBIGCPPXPYLEG-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.44
Rot. Bonds2

About 2-methyl-N-(2-methylcyclohexyl)thian-3-amine

2-methyl-N-(2-methylcyclohexyl)thian-3-amine (PubChem CID 79956809) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methylcyclohexyl)thian-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylcyclohexyl)thian-3-amine
PubChem CID79956809
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name2-methyl-N-(2-methylcyclohexyl)thian-3-amine
SMILESCC1CCCCC1NC1CCCSC1C
InChIInChI=1S/C13H25NS/c1-10-6-3-4-7-12(10)14-13-8-5-9-15-11(13)2/h10-14H,3-9H2,1-2H3
InChIKeyLHBIGCPPXPYLEG-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
cis-(1S,2R)-2-methyl-N-[(1S,2R)-2-methylcyclopentyl]cyclohexan-1-amine
CID 124708997
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
cis-(1R,2S)-2-[[(1S,2R)-2-methylcyclohexyl]amino]cyclohexan-1-ol
CID 124710519
cis-(1S,2R)-2-[[(1R,2S)-2-methylcyclopentyl]amino]cyclohexan-1-ol
CID 95377487
N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
CID 102671503
cis-(1R,2S)-N-cyclopropyl-2-methylcyclohexan-1-amine
CID 30048017
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
CID 79957007
(2R,3R)-2-methyl-N-[(1S,2R)-2-methylcyclohexyl]oxolan-3-amine
CID 97358044
N-(2-methylcyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43392260

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylcyclohexyl)thian-3-amine?
The IUPAC name of 2-methyl-N-(2-methylcyclohexyl)thian-3-amine (CID 79956809) is 2-methyl-N-(2-methylcyclohexyl)thian-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylcyclohexyl)thian-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylcyclohexyl)thian-3-amine is CC1CCCCC1NC1CCCSC1C.
What is the InChIKey of 2-methyl-N-(2-methylcyclohexyl)thian-3-amine?
The InChIKey is LHBIGCPPXPYLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-10-6-3-4-7-12(10)14-13-8-5-9-15-11(13)2/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methylcyclohexyl)thian-3-amine?
2-methyl-N-(2-methylcyclohexyl)thian-3-amine has a molecular weight of 227.42 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylcyclohexyl)thian-3-amine is sourced from PubChem (CID 79956809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).