1-[(Z)-pent-2-en-3-yl]sulfanylethenamine

C7H13NS — CID 171562987

IUPAC1-[(Z)-pent-2-en-3-yl]sulfanylethenamine
SMILESC=C(N)S/C(=C\C)CC
InChIInChI=1S/C7H13NS/c1-4-7(5-2)9-6(3)8/h4H,3,5,8H2,1-2H3/b7-4-
InChIKeyQLPMSYVJCBIIEE-DAXSKMNVSA-N
MW143.25 g/mol
LogP2.46
Rot. Bonds3

About 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine

1-[(Z)-pent-2-en-3-yl]sulfanylethenamine (PubChem CID 171562987) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine.

Molecular Properties

Compound Name1-[(Z)-pent-2-en-3-yl]sulfanylethenamine
PubChem CID171562987
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-[(Z)-pent-2-en-3-yl]sulfanylethenamine
SMILESC=C(N)S/C(=C\C)CC
InChIInChI=1S/C7H13NS/c1-4-7(5-2)9-6(3)8/h4H,3,5,8H2,1-2H3/b7-4-
InChIKeyQLPMSYVJCBIIEE-DAXSKMNVSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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but-2-ene;2-methylbut-1-ene
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1-aminoethenyl N-methylethanimidothioate
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(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanylhex-2-ene
CID 170121658
(4E,6Z)-6-ethyl-3-methylideneocta-4,6-dien-4-amine
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(Z)-hex-3-en-3-amine
CID 18331654
(Z)-5,5-dimethyl-3-prop-1-en-2-ylsulfanyloct-2-ene
CID 170121670
(Z)-2-[(Z)-but-2-en-2-yl]sulfanylbut-2-en-1-amine
CID 177320214
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549
(3E,5Z)-3-ethyl-2-methylhepta-1,3,5-trien-4-amine
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(Z)-3-ethylpent-3-en-1-ol
CID 21279610

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine?
The IUPAC name of 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine (CID 171562987) is 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine.
What is the SMILES notation for 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine?
The canonical SMILES for 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine is C=C(N)S/C(=C\C)CC.
What is the InChIKey of 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine?
The InChIKey is QLPMSYVJCBIIEE-DAXSKMNVSA-N. The full InChI is InChI=1S/C7H13NS/c1-4-7(5-2)9-6(3)8/h4H,3,5,8H2,1-2H3/b7-4-.
What are the key properties of 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine?
1-[(Z)-pent-2-en-3-yl]sulfanylethenamine has a molecular weight of 143.25 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-2-en-3-yl]sulfanylethenamine is sourced from PubChem (CID 171562987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).