(Z)-1-ethenylsulfanylbut-1-en-2-amine

C6H11NS — CID 130329572

IUPAC(Z)-1-ethenylsulfanylbut-1-en-2-amine
SMILESC=CS/C=C(\N)CC
InChIInChI=1S/C6H11NS/c1-3-6(7)5-8-4-2/h4-5H,2-3,7H2,1H3/b6-5-
InChIKeyLSQWWONCRWPIQT-WAYWQWQTSA-N
MW129.23 g/mol
LogP2.07
Rot. Bonds3

About (Z)-1-ethenylsulfanylbut-1-en-2-amine

(Z)-1-ethenylsulfanylbut-1-en-2-amine (PubChem CID 130329572) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is (Z)-1-ethenylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-ethenylsulfanylbut-1-en-2-amine
PubChem CID130329572
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name(Z)-1-ethenylsulfanylbut-1-en-2-amine
SMILESC=CS/C=C(\N)CC
InChIInChI=1S/C6H11NS/c1-3-6(7)5-8-4-2/h4-5H,2-3,7H2,1H3/b6-5-
InChIKeyLSQWWONCRWPIQT-WAYWQWQTSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfanylbut-1-en-2-amine
CID 163702090
5-(ethenylsulfanylmethylidene)nonane
CID 139298116
(Z)-hex-3-en-3-amine
CID 18331654
ethane;ethenylsulfanylethene
CID 142048646
1-aminosulfanylbut-1-en-2-yl(ethenyl)azanium
CID 149204513
undec-3-en-3-amine
CID 151904505
(Z)-3-aminopent-2-enoic acid
CID 21472497
4-aminohex-3-en-2-one
CID 57357968
pentane;prop-2-enamide
CID 139391622
(4S)-4-ethenylsulfanyl-3-methylpentan-1-amine
CID 167189841
(Z)-1-N-butylbut-1-ene-1,2-diamine
CID 89423633
ethenylsulfanylethene;hydrate
CID 137369807

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethenylsulfanylbut-1-en-2-amine?
The IUPAC name of (Z)-1-ethenylsulfanylbut-1-en-2-amine (CID 130329572) is (Z)-1-ethenylsulfanylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-ethenylsulfanylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-ethenylsulfanylbut-1-en-2-amine is C=CS/C=C(\N)CC.
What is the InChIKey of (Z)-1-ethenylsulfanylbut-1-en-2-amine?
The InChIKey is LSQWWONCRWPIQT-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NS/c1-3-6(7)5-8-4-2/h4-5H,2-3,7H2,1H3/b6-5-.
What are the key properties of (Z)-1-ethenylsulfanylbut-1-en-2-amine?
(Z)-1-ethenylsulfanylbut-1-en-2-amine has a molecular weight of 129.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethenylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 130329572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).