(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine

C7H15NS — CID 88871736

IUPAC(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@@H](N)CCSC
InChIInChI=1S/C7H15NS/c1-6(2)7(8)4-5-9-3/h7H,1,4-5,8H2,2-3H3/t7-/m0/s1
InChIKeyPCLUNZSHKMQHFS-ZETCQYMHSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds4

About (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine

(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88871736) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID88871736
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@@H](N)CCSC
InChIInChI=1S/C7H15NS/c1-6(2)7(8)4-5-9-3/h7H,1,4-5,8H2,2-3H3/t7-/m0/s1
InChIKeyPCLUNZSHKMQHFS-ZETCQYMHSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine (CID 88871736) is (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine is C=C(C)[C@@H](N)CCSC.
What is the InChIKey of (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is PCLUNZSHKMQHFS-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H15NS/c1-6(2)7(8)4-5-9-3/h7H,1,4-5,8H2,2-3H3/t7-/m0/s1.
What are the key properties of (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88871736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).