3-(1-amino-2-methylcyclopropyl)propane-1-thiol

C7H15NS — CID 84649053

IUPAC3-(1-amino-2-methylcyclopropyl)propane-1-thiol
SMILESCC1CC1(N)CCCS
InChIInChI=1S/C7H15NS/c1-6-5-7(6,8)3-2-4-9/h6,9H,2-5,8H2,1H3
InChIKeyUVFCPKPMEDZKOR-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.43
Rot. Bonds3

About 3-(1-amino-2-methylcyclopropyl)propane-1-thiol

3-(1-amino-2-methylcyclopropyl)propane-1-thiol (PubChem CID 84649053) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-(1-amino-2-methylcyclopropyl)propane-1-thiol.

Molecular Properties

Compound Name3-(1-amino-2-methylcyclopropyl)propane-1-thiol
PubChem CID84649053
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-(1-amino-2-methylcyclopropyl)propane-1-thiol
SMILESCC1CC1(N)CCCS
InChIInChI=1S/C7H15NS/c1-6-5-7(6,8)3-2-4-9/h6,9H,2-5,8H2,1H3
InChIKeyUVFCPKPMEDZKOR-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.43
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 3-(1-amino-2-methylcyclopropyl)propane-1-thiol?
The IUPAC name of 3-(1-amino-2-methylcyclopropyl)propane-1-thiol (CID 84649053) is 3-(1-amino-2-methylcyclopropyl)propane-1-thiol.
What is the SMILES notation for 3-(1-amino-2-methylcyclopropyl)propane-1-thiol?
The canonical SMILES for 3-(1-amino-2-methylcyclopropyl)propane-1-thiol is CC1CC1(N)CCCS.
What is the InChIKey of 3-(1-amino-2-methylcyclopropyl)propane-1-thiol?
The InChIKey is UVFCPKPMEDZKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-6-5-7(6,8)3-2-4-9/h6,9H,2-5,8H2,1H3.
What are the key properties of 3-(1-amino-2-methylcyclopropyl)propane-1-thiol?
3-(1-amino-2-methylcyclopropyl)propane-1-thiol has a molecular weight of 145.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylcyclopropyl)propane-1-thiol is sourced from PubChem (CID 84649053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).