1-prop-2-enylsulfanylbutan-2-amine

C7H15NS — CID 66228457

IUPAC1-prop-2-enylsulfanylbutan-2-amine
SMILESC=CCSCC(N)CC
InChIInChI=1S/C7H15NS/c1-3-5-9-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyFLXWLFCWCYPMPE-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.64
Rot. Bonds5

About 1-prop-2-enylsulfanylbutan-2-amine

1-prop-2-enylsulfanylbutan-2-amine (PubChem CID 66228457) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 1-prop-2-enylsulfanylbutan-2-amine.

Molecular Properties

Compound Name1-prop-2-enylsulfanylbutan-2-amine
PubChem CID66228457
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name1-prop-2-enylsulfanylbutan-2-amine
SMILESC=CCSCC(N)CC
InChIInChI=1S/C7H15NS/c1-3-5-9-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3
InChIKeyFLXWLFCWCYPMPE-UHFFFAOYSA-N
XLogP1.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

1-prop-2-enylsulfanylpropane-2-thiol
CID 14297241
1-ethylsulfanylhex-5-en-2-amine
CID 65127956
1-hexylsulfanylbutan-2-amine
CID 66228933
3-(2-ethylsulfanylethylsulfanyl)prop-1-ene
CID 131107230
1-[2,3-bis(prop-2-enylsulfanyl)propyldisulfanyl]-2,3-bis(prop-2-enylsulfanyl)propane
CID 20768493
1-(1,3-dioxan-4-ylmethylsulfanyl)butan-2-amine
CID 66231267
2-prop-2-enylsulfanylbutan-1-amine
CID 130507946
(2S,3S)-2-amino-3-methyl-N-(2-prop-2-enylsulfanylethyl)pentanamide
CID 103833010
pentan-3-amine;hydroiodide
CID 173436389
(2R)-1-N-methyl-1-N-prop-2-enylbutane-1,2-diamine
CID 130522843
3-prop-2-enylsulfanylprop-1-ene;urea
CID 174462951
3-(2-aminobutylsulfanyl)-N,N-dimethylpropanamide
CID 66229613

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfanylbutan-2-amine?
The IUPAC name of 1-prop-2-enylsulfanylbutan-2-amine (CID 66228457) is 1-prop-2-enylsulfanylbutan-2-amine.
What is the SMILES notation for 1-prop-2-enylsulfanylbutan-2-amine?
The canonical SMILES for 1-prop-2-enylsulfanylbutan-2-amine is C=CCSCC(N)CC.
What is the InChIKey of 1-prop-2-enylsulfanylbutan-2-amine?
The InChIKey is FLXWLFCWCYPMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-5-9-6-7(8)4-2/h3,7H,1,4-6,8H2,2H3.
What are the key properties of 1-prop-2-enylsulfanylbutan-2-amine?
1-prop-2-enylsulfanylbutan-2-amine has a molecular weight of 145.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfanylbutan-2-amine is sourced from PubChem (CID 66228457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).