2-cyclopentyl-1,4-thiazinane 1,1-dioxide

C9H17NO2S — CID 173061390

IUPAC2-cyclopentyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1C1CCCC1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-10-7-9(13)8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyIVVZRSWDWPCZQK-UHFFFAOYSA-N
MW203.31 g/mol
LogP0.56
Rot. Bonds1

About 2-cyclopentyl-1,4-thiazinane 1,1-dioxide

2-cyclopentyl-1,4-thiazinane 1,1-dioxide (PubChem CID 173061390) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-cyclopentyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name2-cyclopentyl-1,4-thiazinane 1,1-dioxide
PubChem CID173061390
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name2-cyclopentyl-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCNCC1C1CCCC1
InChIInChI=1S/C9H17NO2S/c11-13(12)6-5-10-7-9(13)8-3-1-2-4-8/h8-10H,1-7H2
InChIKeyIVVZRSWDWPCZQK-UHFFFAOYSA-N
XLogP0.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-1,4-thiazinane 1,1-dioxide 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 2-cyclopentyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 2-cyclopentyl-1,4-thiazinane 1,1-dioxide (CID 173061390) is 2-cyclopentyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 2-cyclopentyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 2-cyclopentyl-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCNCC1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is IVVZRSWDWPCZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c11-13(12)6-5-10-7-9(13)8-3-1-2-4-8/h8-10H,1-7H2.
What are the key properties of 2-cyclopentyl-1,4-thiazinane 1,1-dioxide?
2-cyclopentyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 203.31 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 173061390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).