(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine

C9H17NS — CID 89340441

IUPAC(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
SMILESC=CS[C@H](C)NCC/C=C\C
InChIInChI=1S/C9H17NS/c1-4-6-7-8-10-9(3)11-5-2/h4-6,9-10H,2,7-8H2,1,3H3/b6-4-/t9-/m1/s1
InChIKeyTVAPSQZLHINKHZ-XTULLQBASA-N
MW171.31 g/mol
LogP2.76
Rot. Bonds6

About (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine

(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine (PubChem CID 89340441) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
PubChem CID89340441
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
SMILESC=CS[C@H](C)NCC/C=C\C
InChIInChI=1S/C9H17NS/c1-4-6-7-8-10-9(3)11-5-2/h4-6,9-10H,2,7-8H2,1,3H3/b6-4-/t9-/m1/s1
InChIKeyTVAPSQZLHINKHZ-XTULLQBASA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine?
The IUPAC name of (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine (CID 89340441) is (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine?
The canonical SMILES for (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine is C=CS[C@H](C)NCC/C=C\C.
What is the InChIKey of (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine?
The InChIKey is TVAPSQZLHINKHZ-XTULLQBASA-N. The full InChI is InChI=1S/C9H17NS/c1-4-6-7-8-10-9(3)11-5-2/h4-6,9-10H,2,7-8H2,1,3H3/b6-4-/t9-/m1/s1.
What are the key properties of (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine?
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine has a molecular weight of 171.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine is sourced from PubChem (CID 89340441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).