(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine

C10H19NS — CID 88942821

IUPAC(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine
SMILESC=C(C)N[C@@H](CCSC)C(=C)C
InChIInChI=1S/C10H19NS/c1-8(2)10(6-7-12-5)11-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3/t10-/m0/s1
InChIKeyDOHOSFPVYTUGHK-JTQLQIEISA-N
MW185.34 g/mol
LogP2.81
Rot. Bonds6

About (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine

(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine (PubChem CID 88942821) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine
PubChem CID88942821
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine
SMILESC=C(C)N[C@@H](CCSC)C(=C)C
InChIInChI=1S/C10H19NS/c1-8(2)10(6-7-12-5)11-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3/t10-/m0/s1
InChIKeyDOHOSFPVYTUGHK-JTQLQIEISA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.81
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-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine?
The IUPAC name of (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine (CID 88942821) is (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine.
What is the SMILES notation for (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine?
The canonical SMILES for (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine is C=C(C)N[C@@H](CCSC)C(=C)C.
What is the InChIKey of (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine?
The InChIKey is DOHOSFPVYTUGHK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)10(6-7-12-5)11-9(3)4/h10-11H,1,3,6-7H2,2,4-5H3/t10-/m0/s1.
What are the key properties of (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine?
(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine is sourced from PubChem (CID 88942821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).