(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine

C12H23NS — CID 155354067

IUPAC(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine
SMILESCC/C=C(/C)S/C(=C(\C)CC)[C@@H](C)N
InChIInChI=1S/C12H23NS/c1-6-8-10(4)14-12(11(5)13)9(3)7-2/h8,11H,6-7,13H2,1-5H3/b10-8-,12-9+/t11-/m1/s1
InChIKeySEDTVKLPLHDFTF-WAKVKKRKSA-N
MW213.39 g/mol
LogP4.06
Rot. Bonds5

About (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine

(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine (PubChem CID 155354067) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine.

Molecular Properties

Compound Name(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine
PubChem CID155354067
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine
SMILESCC/C=C(/C)S/C(=C(\C)CC)[C@@H](C)N
InChIInChI=1S/C12H23NS/c1-6-8-10(4)14-12(11(5)13)9(3)7-2/h8,11H,6-7,13H2,1-5H3/b10-8-,12-9+/t11-/m1/s1
InChIKeySEDTVKLPLHDFTF-WAKVKKRKSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine?
The IUPAC name of (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine (CID 155354067) is (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine.
What is the SMILES notation for (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine?
The canonical SMILES for (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine is CC/C=C(/C)S/C(=C(\C)CC)[C@@H](C)N.
What is the InChIKey of (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine?
The InChIKey is SEDTVKLPLHDFTF-WAKVKKRKSA-N. The full InChI is InChI=1S/C12H23NS/c1-6-8-10(4)14-12(11(5)13)9(3)7-2/h8,11H,6-7,13H2,1-5H3/b10-8-,12-9+/t11-/m1/s1.
What are the key properties of (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine?
(E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine has a molecular weight of 213.39 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-4-methyl-3-[(Z)-pent-2-en-2-yl]sulfanylhex-3-en-2-amine is sourced from PubChem (CID 155354067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).