(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine

C8H15NS — CID 87415061

IUPAC(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine
SMILESC=CC(=C)[C@@H](N)CCSC
InChIInChI=1S/C8H15NS/c1-4-7(2)8(9)5-6-10-3/h4,8H,1-2,5-6,9H2,3H3/t8-/m0/s1
InChIKeyLGMPPGLQQALMAC-QMMMGPOBSA-N
MW157.28 g/mol
LogP1.81
Rot. Bonds5

About (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine

(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine (PubChem CID 87415061) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine.

Molecular Properties

Compound Name(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine
PubChem CID87415061
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine
SMILESC=CC(=C)[C@@H](N)CCSC
InChIInChI=1S/C8H15NS/c1-4-7(2)8(9)5-6-10-3/h4,8H,1-2,5-6,9H2,3H3/t8-/m0/s1
InChIKeyLGMPPGLQQALMAC-QMMMGPOBSA-N
XLogP1.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87074446
(3S)-4-methylidene-1-methylsulfanylhexan-3-amine
CID 87160080
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(3S)-4-methylidene-1-methylsulfanylhept-6-en-3-amine
CID 88850658
(3S)-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88871736
(3S)-5-methylsulfanylpent-1-en-3-amine
CID 88911302
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
(3S)-4,5-dimethylidene-1-methylsulfanylheptan-3-amine
CID 89002829
7-Methyl-5,6-dihydro-1-benzothiophen-6-amine
CID 89073817
(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
CID 89074128
(E,3S)-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89096198
4-Ethenyl-2-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 89153838

Frequently Asked Questions

What is the IUPAC name of (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The IUPAC name of (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine (CID 87415061) is (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine.
What is the SMILES notation for (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The canonical SMILES for (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine is C=CC(=C)[C@@H](N)CCSC.
What is the InChIKey of (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
The InChIKey is LGMPPGLQQALMAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NS/c1-4-7(2)8(9)5-6-10-3/h4,8H,1-2,5-6,9H2,3H3/t8-/m0/s1.
What are the key properties of (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine?
(3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine has a molecular weight of 157.28 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-methylidene-1-methylsulfanylhex-5-en-3-amine is sourced from PubChem (CID 87415061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).