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

C6H13NS — CID 88911302

IUPAC(3S)-5-methylsulfanylpent-1-en-3-amine
SMILESC=C[C@@H](N)CCSC
InChIInChI=1S/C6H13NS/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m1/s1
InChIKeyLTGKJADFEWCAQO-ZCFIWIBFSA-N
MW131.24 g/mol
LogP1.25
Rot. Bonds4

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

(3S)-5-methylsulfanylpent-1-en-3-amine (PubChem CID 88911302) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is (3S)-5-methylsulfanylpent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-5-methylsulfanylpent-1-en-3-amine
PubChem CID88911302
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name(3S)-5-methylsulfanylpent-1-en-3-amine
SMILESC=C[C@@H](N)CCSC
InChIInChI=1S/C6H13NS/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m1/s1
InChIKeyLTGKJADFEWCAQO-ZCFIWIBFSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methylimino-4-methylsulfanylbutan-2-amine
CID 142239476
(2S)-2-amino-4-methylsulfanylbutanoic acid;prop-2-enamide
CID 87308343
N-methyl-5-methylsulfanylpent-1-en-3-amine
CID 105161288
4,4-dimethyl-1-methylsulfanylpentan-3-amine
CID 58482801
prop-2-enyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 86346309
(2S)-2-amino-4-methylsulfanylbutanamide;cobalt
CID 174423954
6,6,6-trifluorohex-1-en-3-amine
CID 79954606
2-amino-4-methylsulfanyl-N,N-bis(prop-2-enyl)butanamide
CID 76892115
(2S)-2-amino-4-methylsulfanylbutanoic acid;formaldehyde
CID 161434008
(2S)-2-amino-4-methylsulfanylbutanoic acid;ethene
CID 88715356
5-aminohept-6-enyl(trimethyl)azanium
CID 166766167
2-amino-4-methylsulfanylbutanenitrile;hydrate
CID 141354426

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methylsulfanylpent-1-en-3-amine?
The IUPAC name of (3S)-5-methylsulfanylpent-1-en-3-amine (CID 88911302) is (3S)-5-methylsulfanylpent-1-en-3-amine.
What is the SMILES notation for (3S)-5-methylsulfanylpent-1-en-3-amine?
The canonical SMILES for (3S)-5-methylsulfanylpent-1-en-3-amine is C=C[C@@H](N)CCSC.
What is the InChIKey of (3S)-5-methylsulfanylpent-1-en-3-amine?
The InChIKey is LTGKJADFEWCAQO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-6(7)4-5-8-2/h3,6H,1,4-5,7H2,2H3/t6-/m1/s1.
What are the key properties of (3S)-5-methylsulfanylpent-1-en-3-amine?
(3S)-5-methylsulfanylpent-1-en-3-amine has a molecular weight of 131.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methylsulfanylpent-1-en-3-amine is sourced from PubChem (CID 88911302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).