2-[(E)-2-methylbut-2-enyl]sulfanylethanamine

C7H15NS — CID 58684213

IUPAC2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
SMILESC/C=C(\C)CSCCN
InChIInChI=1S/C7H15NS/c1-3-7(2)6-9-5-4-8/h3H,4-6,8H2,1-2H3/b7-3+
InChIKeyLRHNBALSWGIWKV-XVNBXDOJSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds4

About 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine

2-[(E)-2-methylbut-2-enyl]sulfanylethanamine (PubChem CID 58684213) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine.

Molecular Properties

Compound Name2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
PubChem CID58684213
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-[(E)-2-methylbut-2-enyl]sulfanylethanamine
SMILESC/C=C(\C)CSCCN
InChIInChI=1S/C7H15NS/c1-3-7(2)6-9-5-4-8/h3H,4-6,8H2,1-2H3/b7-3+
InChIKeyLRHNBALSWGIWKV-XVNBXDOJSA-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-[(E)-3-methylpent-3-en-2-yl]sulfanylethanamine
CID 176430969
3-Prop-2-enylsulfanylpropan-1-amine
CID 20339959
2-(2-Methylprop-2-enylsulfanyl)ethanamine
CID 24692043
2-[(E)-but-2-enyl]sulfanylethanamine
CID 24693964
2-(3-Methylbut-2-enylsulfanyl)ethanamine
CID 24700698
2-But-2-enylsulfanylethanamine
CID 54209603
3-Prop-1-enylsulfanylpropan-1-amine
CID 57101189
2-(3-Methylbut-2-enylsulfanyl)propan-1-amine
CID 58683996
2-[(4-Methylpent-3-en-1-yl)sulfanyl]ethan-1-amine
CID 58684050
3-(4-Methylpent-3-enylsulfanyl)propan-1-amine
CID 58684137
2-Prop-2-enylsulfanylpropan-1-amine
CID 58684237
2-(2,3-Dimethylbut-2-enylsulfanyl)ethanamine
CID 58684281

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine?
The IUPAC name of 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine (CID 58684213) is 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine.
What is the SMILES notation for 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine?
The canonical SMILES for 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine is C/C=C(\C)CSCCN.
What is the InChIKey of 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine?
The InChIKey is LRHNBALSWGIWKV-XVNBXDOJSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-7(2)6-9-5-4-8/h3H,4-6,8H2,1-2H3/b7-3+.
What are the key properties of 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine?
2-[(E)-2-methylbut-2-enyl]sulfanylethanamine 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 2-[(E)-2-methylbut-2-enyl]sulfanylethanamine is sourced from PubChem (CID 58684213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).