(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine

C8H16N2S — CID 89382261

IUPAC(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine
SMILESC=CN[C@@H](CCSC)C(=C)N
InChIInChI=1S/C8H16N2S/c1-4-10-8(7(2)9)5-6-11-3/h4,8,10H,1-2,5-6,9H2,3H3/t8-/m0/s1
InChIKeyAVBFJAYHUYFYHN-QMMMGPOBSA-N
MW172.30 g/mol
LogP1.31
Rot. Bonds6

About (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine

(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine (PubChem CID 89382261) has the molecular formula C8H16N2S and a molecular weight of 172.30 g/mol. Its IUPAC name is (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine
PubChem CID89382261
Molecular FormulaC8H16N2S
Molecular Weight172.30 g/mol
Exact Mass172.10
IUPAC Name(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine
SMILESC=CN[C@@H](CCSC)C(=C)N
InChIInChI=1S/C8H16N2S/c1-4-10-8(7(2)9)5-6-11-3/h4,8,10H,1-2,5-6,9H2,3H3/t8-/m0/s1
InChIKeyAVBFJAYHUYFYHN-QMMMGPOBSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine?
The IUPAC name of (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine (CID 89382261) is (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine.
What is the SMILES notation for (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine?
The canonical SMILES for (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine is C=CN[C@@H](CCSC)C(=C)N.
What is the InChIKey of (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine?
The InChIKey is AVBFJAYHUYFYHN-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2S/c1-4-10-8(7(2)9)5-6-11-3/h4,8,10H,1-2,5-6,9H2,3H3/t8-/m0/s1.
What are the key properties of (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine?
(3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine has a molecular weight of 172.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-ethenyl-5-methylsulfanylpent-1-ene-2,3-diamine is sourced from PubChem (CID 89382261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).