1-[(E)-but-2-enyl]sulfanylpropan-2-amine

C7H15NS — CID 58684287

IUPAC1-[(E)-but-2-enyl]sulfanylpropan-2-amine
SMILESC/C=C/CSCC(C)N
InChIInChI=1S/C7H15NS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyCRIXSOGBXJYFNF-ONEGZZNKSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds4

About 1-[(E)-but-2-enyl]sulfanylpropan-2-amine

1-[(E)-but-2-enyl]sulfanylpropan-2-amine (PubChem CID 58684287) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]sulfanylpropan-2-amine
PubChem CID58684287
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-[(E)-but-2-enyl]sulfanylpropan-2-amine
SMILESC/C=C/CSCC(C)N
InChIInChI=1S/C7H15NS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+
InChIKeyCRIXSOGBXJYFNF-ONEGZZNKSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Prop-2-en-1-ylsulfanyl)ethan-1-amine
CID 20495465
4-(Methylsulfanyl)but-2-en-1-amine
CID 66045591
3-Prop-2-enylsulfanylpropan-1-amine
CID 20339959
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
2-But-2-enylsulfanylethanamine
CID 54209603
3-Prop-1-enylsulfanylpropan-1-amine
CID 57101189
3-But-3-en-2-ylsulfanylpropan-1-amine
CID 58684172
2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
CID 58684213
2-Prop-2-enylsulfanylpropan-1-amine
CID 58684237
2-[(E)-pent-3-enyl]sulfanylethanamine
CID 58684285
1-(3-Methylbut-2-enylsulfanyl)propan-2-amine
CID 58684289
4-Prop-2-enylsulfinylbutan-2-amine
CID 58684301

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-enyl]sulfanylpropan-2-amine?
The IUPAC name of 1-[(E)-but-2-enyl]sulfanylpropan-2-amine (CID 58684287) is 1-[(E)-but-2-enyl]sulfanylpropan-2-amine.
What is the SMILES notation for 1-[(E)-but-2-enyl]sulfanylpropan-2-amine?
The canonical SMILES for 1-[(E)-but-2-enyl]sulfanylpropan-2-amine is C/C=C/CSCC(C)N.
What is the InChIKey of 1-[(E)-but-2-enyl]sulfanylpropan-2-amine?
The InChIKey is CRIXSOGBXJYFNF-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-4-5-9-6-7(2)8/h3-4,7H,5-6,8H2,1-2H3/b4-3+.
What are the key properties of 1-[(E)-but-2-enyl]sulfanylpropan-2-amine?
1-[(E)-but-2-enyl]sulfanylpropan-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]sulfanylpropan-2-amine is sourced from PubChem (CID 58684287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).