1-cyclopropyl-2-(sulfanylamino)ethanol

C5H11NOS — CID 155139235

IUPAC1-cyclopropyl-2-(sulfanylamino)ethanol
SMILESOC(CNS)C1CC1
InChIInChI=1S/C5H11NOS/c7-5(3-6-8)4-1-2-4/h4-8H,1-3H2
InChIKeyTZYGEQKEWSOLBD-UHFFFAOYSA-N
MW133.22 g/mol
LogP0.19
Rot. Bonds3

About 1-cyclopropyl-2-(sulfanylamino)ethanol

1-cyclopropyl-2-(sulfanylamino)ethanol (PubChem CID 155139235) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is 1-cyclopropyl-2-(sulfanylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(sulfanylamino)ethanol
PubChem CID155139235
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC Name1-cyclopropyl-2-(sulfanylamino)ethanol
SMILESOC(CNS)C1CC1
InChIInChI=1S/C5H11NOS/c7-5(3-6-8)4-1-2-4/h4-8H,1-3H2
InChIKeyTZYGEQKEWSOLBD-UHFFFAOYSA-N
XLogP0.19
TPSA32.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-cyclopropyl-2-(sulfanylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(sulfanylamino)ethanol (CID 155139235) is 1-cyclopropyl-2-(sulfanylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(sulfanylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(sulfanylamino)ethanol is OC(CNS)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(sulfanylamino)ethanol?
The InChIKey is TZYGEQKEWSOLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c7-5(3-6-8)4-1-2-4/h4-8H,1-3H2.
What are the key properties of 1-cyclopropyl-2-(sulfanylamino)ethanol?
1-cyclopropyl-2-(sulfanylamino)ethanol has a molecular weight of 133.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(sulfanylamino)ethanol is sourced from PubChem (CID 155139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).