(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine

C10H21NS — CID 89053219

IUPAC(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)N(C)CC
InChIInChI=1S/C10H21NS/c1-6-11(4)10(9(2)3)7-8-12-5/h10H,2,6-8H2,1,3-5H3/t10-/m0/s1
InChIKeyQEKVNDWDGHFJCA-JTQLQIEISA-N
MW187.35 g/mol
LogP2.64
Rot. Bonds6

About (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine

(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 89053219) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID89053219
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)N(C)CC
InChIInChI=1S/C10H21NS/c1-6-11(4)10(9(2)3)7-8-12-5/h10H,2,6-8H2,1,3-5H3/t10-/m0/s1
InChIKeyQEKVNDWDGHFJCA-JTQLQIEISA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
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)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine (CID 89053219) is (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine is C=C(C)[C@H](CCSC)N(C)CC.
What is the InChIKey of (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is QEKVNDWDGHFJCA-JTQLQIEISA-N. The full InChI is InChI=1S/C10H21NS/c1-6-11(4)10(9(2)3)7-8-12-5/h10H,2,6-8H2,1,3-5H3/t10-/m0/s1.
What are the key properties of (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 89053219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).