4-methyl-5-(propylamino)pent-1-ene-2-thiol

C9H19NS — CID 134463903

IUPAC4-methyl-5-(propylamino)pent-1-ene-2-thiol
SMILESC=C(S)CC(C)CNCCC
InChIInChI=1S/C9H19NS/c1-4-5-10-7-8(2)6-9(3)11/h8,10-11H,3-7H2,1-2H3
InChIKeyBOJGELASFLUOJO-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.46
Rot. Bonds6

About 4-methyl-5-(propylamino)pent-1-ene-2-thiol

4-methyl-5-(propylamino)pent-1-ene-2-thiol (PubChem CID 134463903) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-methyl-5-(propylamino)pent-1-ene-2-thiol.

Molecular Properties

Compound Name4-methyl-5-(propylamino)pent-1-ene-2-thiol
PubChem CID134463903
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-methyl-5-(propylamino)pent-1-ene-2-thiol
SMILESC=C(S)CC(C)CNCCC
InChIInChI=1S/C9H19NS/c1-4-5-10-7-8(2)6-9(3)11/h8,10-11H,3-7H2,1-2H3
InChIKeyBOJGELASFLUOJO-UHFFFAOYSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(propylamino)pent-1-ene-2-thiol?
The IUPAC name of 4-methyl-5-(propylamino)pent-1-ene-2-thiol (CID 134463903) is 4-methyl-5-(propylamino)pent-1-ene-2-thiol.
What is the SMILES notation for 4-methyl-5-(propylamino)pent-1-ene-2-thiol?
The canonical SMILES for 4-methyl-5-(propylamino)pent-1-ene-2-thiol is C=C(S)CC(C)CNCCC.
What is the InChIKey of 4-methyl-5-(propylamino)pent-1-ene-2-thiol?
The InChIKey is BOJGELASFLUOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-4-5-10-7-8(2)6-9(3)11/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 4-methyl-5-(propylamino)pent-1-ene-2-thiol?
4-methyl-5-(propylamino)pent-1-ene-2-thiol has a molecular weight of 173.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(propylamino)pent-1-ene-2-thiol is sourced from PubChem (CID 134463903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).