(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine

C13H26N2S2 — CID 89360219

IUPAC(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine
SMILESC=C(C)[C@H](CCSC)NC(=C)[C@@H](N)CCSC
InChIInChI=1S/C13H26N2S2/c1-10(2)13(7-9-17-5)15-11(3)12(14)6-8-16-4/h12-13,15H,1,3,6-9,14H2,2,4-5H3/t12-,13-/m0/s1
InChIKeyRNGDEYDKLRMULL-STQMWFEESA-N
MW274.50 g/mol
LogP2.87
Rot. Bonds10

About (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine

(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine (PubChem CID 89360219) has the molecular formula C13H26N2S2 and a molecular weight of 274.50 g/mol. Its IUPAC name is (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine
PubChem CID89360219
Molecular FormulaC13H26N2S2
Molecular Weight274.50 g/mol
Exact Mass274.15
IUPAC Name(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine
SMILESC=C(C)[C@H](CCSC)NC(=C)[C@@H](N)CCSC
InChIInChI=1S/C13H26N2S2/c1-10(2)13(7-9-17-5)15-11(3)12(14)6-8-16-4/h12-13,15H,1,3,6-9,14H2,2,4-5H3/t12-,13-/m0/s1
InChIKeyRNGDEYDKLRMULL-STQMWFEESA-N
XLogP2.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine?
The IUPAC name of (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine (CID 89360219) is (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine.
What is the SMILES notation for (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine?
The canonical SMILES for (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine is C=C(C)[C@H](CCSC)NC(=C)[C@@H](N)CCSC.
What is the InChIKey of (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine?
The InChIKey is RNGDEYDKLRMULL-STQMWFEESA-N. The full InChI is InChI=1S/C13H26N2S2/c1-10(2)13(7-9-17-5)15-11(3)12(14)6-8-16-4/h12-13,15H,1,3,6-9,14H2,2,4-5H3/t12-,13-/m0/s1.
What are the key properties of (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine?
(3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine has a molecular weight of 274.50 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-N-[(3S)-2-methyl-5-methylsulfanylpent-1-en-3-yl]-5-methylsulfanylpent-1-ene-2,3-diamine is sourced from PubChem (CID 89360219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).