N-(cyclohexylmethyl)thian-4-amine

C12H23NS — CID 43394824

IUPACN-(cyclohexylmethyl)thian-4-amine
SMILESC1CCC(CNC2CCSCC2)CC1
InChIInChI=1S/C12H23NS/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h11-13H,1-10H2
InChIKeyDBMBQSDSVGHJSZ-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.05
Rot. Bonds3

About N-(cyclohexylmethyl)thian-4-amine

N-(cyclohexylmethyl)thian-4-amine (PubChem CID 43394824) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)thian-4-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)thian-4-amine
PubChem CID43394824
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(cyclohexylmethyl)thian-4-amine
SMILESC1CCC(CNC2CCSCC2)CC1
InChIInChI=1S/C12H23NS/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h11-13H,1-10H2
InChIKeyDBMBQSDSVGHJSZ-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)thian-4-amine?
The IUPAC name of N-(cyclohexylmethyl)thian-4-amine (CID 43394824) is N-(cyclohexylmethyl)thian-4-amine.
What is the SMILES notation for N-(cyclohexylmethyl)thian-4-amine?
The canonical SMILES for N-(cyclohexylmethyl)thian-4-amine is C1CCC(CNC2CCSCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)thian-4-amine?
The InChIKey is DBMBQSDSVGHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-2-4-11(5-3-1)10-13-12-6-8-14-9-7-12/h11-13H,1-10H2.
What are the key properties of N-(cyclohexylmethyl)thian-4-amine?
N-(cyclohexylmethyl)thian-4-amine has a molecular weight of 213.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)thian-4-amine is sourced from PubChem (CID 43394824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).