1-methylsulfanylhexan-3-amine

C7H17NS — CID 54359950

IUPAC1-methylsulfanylhexan-3-amine
SMILESCCCC(N)CCSC
InChIInChI=1S/C7H17NS/c1-3-4-7(8)5-6-9-2/h7H,3-6,8H2,1-2H3
InChIKeyBZHSLTCPZRSSDX-UHFFFAOYSA-N
MW147.29 g/mol
LogP1.87
Rot. Bonds5

About 1-methylsulfanylhexan-3-amine

1-methylsulfanylhexan-3-amine (PubChem CID 54359950) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is 1-methylsulfanylhexan-3-amine.

Molecular Properties

Compound Name1-methylsulfanylhexan-3-amine
PubChem CID54359950
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Name1-methylsulfanylhexan-3-amine
SMILESCCCC(N)CCSC
InChIInChI=1S/C7H17NS/c1-3-4-7(8)5-6-9-2/h7H,3-6,8H2,1-2H3
InChIKeyBZHSLTCPZRSSDX-UHFFFAOYSA-N
XLogP1.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylhexan-3-amine?
The IUPAC name of 1-methylsulfanylhexan-3-amine (CID 54359950) is 1-methylsulfanylhexan-3-amine.
What is the SMILES notation for 1-methylsulfanylhexan-3-amine?
The canonical SMILES for 1-methylsulfanylhexan-3-amine is CCCC(N)CCSC.
What is the InChIKey of 1-methylsulfanylhexan-3-amine?
The InChIKey is BZHSLTCPZRSSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS/c1-3-4-7(8)5-6-9-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-methylsulfanylhexan-3-amine?
1-methylsulfanylhexan-3-amine has a molecular weight of 147.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylhexan-3-amine is sourced from PubChem (CID 54359950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).