N-(2-methylcyclohexyl)thian-4-amine

C12H23NS — CID 43394867

IUPACN-(2-methylcyclohexyl)thian-4-amine
SMILESCC1CCCCC1NC1CCSCC1
InChIInChI=1S/C12H23NS/c1-10-4-2-3-5-12(10)13-11-6-8-14-9-7-11/h10-13H,2-9H2,1H3
InChIKeyUMAGLEVWSPKGRW-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds2

About N-(2-methylcyclohexyl)thian-4-amine

N-(2-methylcyclohexyl)thian-4-amine (PubChem CID 43394867) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)thian-4-amine
PubChem CID43394867
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(2-methylcyclohexyl)thian-4-amine
SMILESCC1CCCCC1NC1CCSCC1
InChIInChI=1S/C12H23NS/c1-10-4-2-3-5-12(10)13-11-6-8-14-9-7-11/h10-13H,2-9H2,1H3
InChIKeyUMAGLEVWSPKGRW-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Thia-4-azaspiro(5.5)undecane
CID 58300401
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
5-[2-(4-Fluorocyclohexyl)sulfanylethyl]-2-methylpiperidine
CID 140640625
N-[(2R)-2-(methylsulfanylmethyl)butyl]cyclohexanamine
CID 100920931
N-[3-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434425
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434511
N-[2-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434513
N-[4-(trifluoromethyl)cyclohexyl]thian-4-amine
CID 43434641
N-[4-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129689
N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 55129690
N-[3-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 62871811
N-(2-methylsulfanylethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758290

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)thian-4-amine?
The IUPAC name of N-(2-methylcyclohexyl)thian-4-amine (CID 43394867) is N-(2-methylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(2-methylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(2-methylcyclohexyl)thian-4-amine is CC1CCCCC1NC1CCSCC1.
What is the InChIKey of N-(2-methylcyclohexyl)thian-4-amine?
The InChIKey is UMAGLEVWSPKGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10-4-2-3-5-12(10)13-11-6-8-14-9-7-11/h10-13H,2-9H2,1H3.
What are the key properties of N-(2-methylcyclohexyl)thian-4-amine?
N-(2-methylcyclohexyl)thian-4-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)thian-4-amine is sourced from PubChem (CID 43394867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).