1-methylsulfanylbut-1-en-2-amine

C5H11NS — CID 163702090

IUPAC1-methylsulfanylbut-1-en-2-amine
SMILESCCC(N)=CSC
InChIInChI=1S/C5H11NS/c1-3-5(6)4-7-2/h4H,3,6H2,1-2H3
InChIKeyKBXDYSPJXJYSRL-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.56
Rot. Bonds2

About 1-methylsulfanylbut-1-en-2-amine

1-methylsulfanylbut-1-en-2-amine (PubChem CID 163702090) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1-methylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound Name1-methylsulfanylbut-1-en-2-amine
PubChem CID163702090
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1-methylsulfanylbut-1-en-2-amine
SMILESCCC(N)=CSC
InChIInChI=1S/C5H11NS/c1-3-5(6)4-7-2/h4H,3,6H2,1-2H3
InChIKeyKBXDYSPJXJYSRL-UHFFFAOYSA-N
XLogP1.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-1-ethenylsulfanylbut-1-en-2-amine
CID 130329572
(Z)-hex-3-en-3-amine
CID 18331654
(1E)-1-methylsulfanylbuta-1,3-dien-2-amine
CID 155152094
(Z)-3-aminopent-2-enoic acid
CID 21472497
4-aminohex-3-en-2-one
CID 57357968
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163
1,1,2-tris(methylsulfanyl)ethene
CID 597145
(1E,3Z)-2,4-diaminohexa-1,3-diene-1-thiol
CID 146393049
(Z)-1-methyliminopent-2-en-3-amine
CID 129017150
(Z)-5-imino-6-methylhept-3-en-3-amine
CID 155718688
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(Z)-1-[amino(2-methoxyethyl)amino]but-1-en-2-amine
CID 145256992

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanylbut-1-en-2-amine?
The IUPAC name of 1-methylsulfanylbut-1-en-2-amine (CID 163702090) is 1-methylsulfanylbut-1-en-2-amine.
What is the SMILES notation for 1-methylsulfanylbut-1-en-2-amine?
The canonical SMILES for 1-methylsulfanylbut-1-en-2-amine is CCC(N)=CSC.
What is the InChIKey of 1-methylsulfanylbut-1-en-2-amine?
The InChIKey is KBXDYSPJXJYSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-3-5(6)4-7-2/h4H,3,6H2,1-2H3.
What are the key properties of 1-methylsulfanylbut-1-en-2-amine?
1-methylsulfanylbut-1-en-2-amine has a molecular weight of 117.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 163702090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).