N-(5-methylhexan-2-yl)thian-4-amine

C12H25NS — CID 43394851

IUPACN-(5-methylhexan-2-yl)thian-4-amine
SMILESCC(C)CCC(C)NC1CCSCC1
InChIInChI=1S/C12H25NS/c1-10(2)4-5-11(3)13-12-6-8-14-9-7-12/h10-13H,4-9H2,1-3H3
InChIKeyLUUJEHWQPAZGJV-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.30
Rot. Bonds5

About N-(5-methylhexan-2-yl)thian-4-amine

N-(5-methylhexan-2-yl)thian-4-amine (PubChem CID 43394851) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)thian-4-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)thian-4-amine
PubChem CID43394851
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(5-methylhexan-2-yl)thian-4-amine
SMILESCC(C)CCC(C)NC1CCSCC1
InChIInChI=1S/C12H25NS/c1-10(2)4-5-11(3)13-12-6-8-14-9-7-12/h10-13H,4-9H2,1-3H3
InChIKeyLUUJEHWQPAZGJV-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)thian-4-amine?
The IUPAC name of N-(5-methylhexan-2-yl)thian-4-amine (CID 43394851) is N-(5-methylhexan-2-yl)thian-4-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)thian-4-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)thian-4-amine is CC(C)CCC(C)NC1CCSCC1.
What is the InChIKey of N-(5-methylhexan-2-yl)thian-4-amine?
The InChIKey is LUUJEHWQPAZGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-10(2)4-5-11(3)13-12-6-8-14-9-7-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)thian-4-amine?
N-(5-methylhexan-2-yl)thian-4-amine has a molecular weight of 215.41 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)thian-4-amine is sourced from PubChem (CID 43394851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).