(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol

C10H21NS — CID 129200484

IUPAC(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol
SMILESCCC(C)(C)NC/C=C\C(C)S
InChIInChI=1S/C10H21NS/c1-5-10(3,4)11-8-6-7-9(2)12/h6-7,9,11-12H,5,8H2,1-4H3/b7-6-
InChIKeyCHAXTVBHMYTYEZ-SREVYHEPSA-N
MW187.35 g/mol
LogP2.64
Rot. Bonds5

About (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol

(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol (PubChem CID 129200484) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol.

Molecular Properties

Compound Name(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol
PubChem CID129200484
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol
SMILESCCC(C)(C)NC/C=C\C(C)S
InChIInChI=1S/C10H21NS/c1-5-10(3,4)11-8-6-7-9(2)12/h6-7,9,11-12H,5,8H2,1-4H3/b7-6-
InChIKeyCHAXTVBHMYTYEZ-SREVYHEPSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.64
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)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol?
The IUPAC name of (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol (CID 129200484) is (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol.
What is the SMILES notation for (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol?
The canonical SMILES for (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol is CCC(C)(C)NC/C=C\C(C)S.
What is the InChIKey of (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol?
The InChIKey is CHAXTVBHMYTYEZ-SREVYHEPSA-N. The full InChI is InChI=1S/C10H21NS/c1-5-10(3,4)11-8-6-7-9(2)12/h6-7,9,11-12H,5,8H2,1-4H3/b7-6-.
What are the key properties of (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol?
(Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol has a molecular weight of 187.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-methylbutan-2-ylamino)pent-3-ene-2-thiol is sourced from PubChem (CID 129200484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).