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

C8H17NS — CID 87501099

IUPAC(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)NC
InChIInChI=1S/C8H17NS/c1-7(2)8(9-3)5-6-10-4/h8-9H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyOIXAYHAJCVHXBD-QMMMGPOBSA-N
MW159.30 g/mol
LogP1.90
Rot. Bonds5

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

(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine (PubChem CID 87501099) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
PubChem CID87501099
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
SMILESC=C(C)[C@H](CCSC)NC
InChIInChI=1S/C8H17NS/c1-7(2)8(9-3)5-6-10-4/h8-9H,1,5-6H2,2-4H3/t8-/m0/s1
InChIKeyOIXAYHAJCVHXBD-QMMMGPOBSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 51.90
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)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine (CID 87501099) is (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine is C=C(C)[C@H](CCSC)NC.
What is the InChIKey of (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is OIXAYHAJCVHXBD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NS/c1-7(2)8(9-3)5-6-10-4/h8-9H,1,5-6H2,2-4H3/t8-/m0/s1.
What are the key properties of (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine?
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 159.30 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 87501099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).