(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol

C10H19NS — CID 167241920

IUPAC(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol
SMILESC=CC(/C=C\S)(CN)C(C)CC
InChIInChI=1S/C10H19NS/c1-4-9(3)10(5-2,8-11)6-7-12/h5-7,9,12H,2,4,8,11H2,1,3H3/b7-6-
InChIKeyOHYHMVUGKAQZFS-SREVYHEPSA-N
MW185.34 g/mol
LogP2.61
Rot. Bonds5

About (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol

(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol (PubChem CID 167241920) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol.

Molecular Properties

Compound Name(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol
PubChem CID167241920
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol
SMILESC=CC(/C=C\S)(CN)C(C)CC
InChIInChI=1S/C10H19NS/c1-4-9(3)10(5-2,8-11)6-7-12/h5-7,9,12H,2,4,8,11H2,1,3H3/b7-6-
InChIKeyOHYHMVUGKAQZFS-SREVYHEPSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol?
The IUPAC name of (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol (CID 167241920) is (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol.
What is the SMILES notation for (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol?
The canonical SMILES for (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol is C=CC(/C=C\S)(CN)C(C)CC.
What is the InChIKey of (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol?
The InChIKey is OHYHMVUGKAQZFS-SREVYHEPSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9(3)10(5-2,8-11)6-7-12/h5-7,9,12H,2,4,8,11H2,1,3H3/b7-6-.
What are the key properties of (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol?
(Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(aminomethyl)-3-ethenyl-4-methylhex-1-ene-1-thiol is sourced from PubChem (CID 167241920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).