(3-sulfanylcyclobutyl) N-tert-butylcarbamate

C9H17NO2S — CID 165144304

IUPAC(3-sulfanylcyclobutyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(S)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)10-8(11)12-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11)
InChIKeyQHGCKPHAMZBJAG-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.97
Rot. Bonds1

About (3-sulfanylcyclobutyl) N-tert-butylcarbamate

(3-sulfanylcyclobutyl) N-tert-butylcarbamate (PubChem CID 165144304) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is (3-sulfanylcyclobutyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3-sulfanylcyclobutyl) N-tert-butylcarbamate
PubChem CID165144304
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name(3-sulfanylcyclobutyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(S)C1
InChIInChI=1S/C9H17NO2S/c1-9(2,3)10-8(11)12-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11)
InChIKeyQHGCKPHAMZBJAG-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3-sulfanylcyclobutyl) N-tert-butylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-sulfanylcyclobutyl) N-tert-butylcarbamate?
The IUPAC name of (3-sulfanylcyclobutyl) N-tert-butylcarbamate (CID 165144304) is (3-sulfanylcyclobutyl) N-tert-butylcarbamate.
What is the SMILES notation for (3-sulfanylcyclobutyl) N-tert-butylcarbamate?
The canonical SMILES for (3-sulfanylcyclobutyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(S)C1.
What is the InChIKey of (3-sulfanylcyclobutyl) N-tert-butylcarbamate?
The InChIKey is QHGCKPHAMZBJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-9(2,3)10-8(11)12-6-4-7(13)5-6/h6-7,13H,4-5H2,1-3H3,(H,10,11).
What are the key properties of (3-sulfanylcyclobutyl) N-tert-butylcarbamate?
(3-sulfanylcyclobutyl) N-tert-butylcarbamate has a molecular weight of 203.31 g/mol, XLogP of 1.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-sulfanylcyclobutyl) N-tert-butylcarbamate is sourced from PubChem (CID 165144304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).