N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine

C15H29NS — CID 43710319

IUPACN-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCSCC2)C1
InChIInChI=1S/C15H29NS/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-17-9-7-13/h11-16H,4-10H2,1-3H3
InChIKeyWIKNWWDURJEPRV-UHFFFAOYSA-N
MW255.47 g/mol
LogP3.93
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine

N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine (PubChem CID 43710319) has the molecular formula C15H29NS and a molecular weight of 255.47 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine
PubChem CID43710319
Molecular FormulaC15H29NS
Molecular Weight255.47 g/mol
Exact Mass255.20
IUPAC NameN-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine
SMILESCC1CCC(C(C)C)C(NC2CCSCC2)C1
InChIInChI=1S/C15H29NS/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-17-9-7-13/h11-16H,4-10H2,1-3H3
InChIKeyWIKNWWDURJEPRV-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine?
The IUPAC name of N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine (CID 43710319) is N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine?
The canonical SMILES for N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine is CC1CCC(C(C)C)C(NC2CCSCC2)C1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine?
The InChIKey is WIKNWWDURJEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NS/c1-11(2)14-5-4-12(3)10-15(14)16-13-6-8-17-9-7-13/h11-16H,4-10H2,1-3H3.
What are the key properties of N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine?
N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine has a molecular weight of 255.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylcyclohexyl)thian-4-amine is sourced from PubChem (CID 43710319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).