(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol

C9H19NS — CID 137466685

IUPAC(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol
SMILESC/C=C(\NCC(C)C)C(C)S
InChIInChI=1S/C9H19NS/c1-5-9(8(4)11)10-6-7(2)3/h5,7-8,10-11H,6H2,1-4H3/b9-5-
InChIKeyMNVGIGGXZZCSEQ-UITAMQMPSA-N
MW173.33 g/mol
LogP2.45
Rot. Bonds4

About (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol

(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol (PubChem CID 137466685) has the molecular formula C9H19NS and a molecular weight of 173.33 g/mol. Its IUPAC name is (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol.

Molecular Properties

Compound Name(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol
PubChem CID137466685
Molecular FormulaC9H19NS
Molecular Weight173.33 g/mol
Exact Mass173.12
IUPAC Name(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol
SMILESC/C=C(\NCC(C)C)C(C)S
InChIInChI=1S/C9H19NS/c1-5-9(8(4)11)10-6-7(2)3/h5,7-8,10-11H,6H2,1-4H3/b9-5-
InChIKeyMNVGIGGXZZCSEQ-UITAMQMPSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol?
The IUPAC name of (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol (CID 137466685) is (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol.
What is the SMILES notation for (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol?
The canonical SMILES for (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol is C/C=C(\NCC(C)C)C(C)S.
What is the InChIKey of (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol?
The InChIKey is MNVGIGGXZZCSEQ-UITAMQMPSA-N. The full InChI is InChI=1S/C9H19NS/c1-5-9(8(4)11)10-6-7(2)3/h5,7-8,10-11H,6H2,1-4H3/b9-5-.
What are the key properties of (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol?
(Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol has a molecular weight of 173.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-methylpropylamino)pent-3-ene-2-thiol is sourced from PubChem (CID 137466685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).