3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide

C8H16ClNO2S2 — CID 43653837

IUPAC3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)CCCCl
InChIInChI=1S/C8H16ClNO2S2/c1-10(8-3-5-13-7-8)14(11,12)6-2-4-9/h8H,2-7H2,1H3
InChIKeyIWNROYBNQWFPHX-UHFFFAOYSA-N
MW257.81 g/mol
LogP1.38
Rot. Bonds5

About 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide

3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide (PubChem CID 43653837) has the molecular formula C8H16ClNO2S2 and a molecular weight of 257.81 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide
PubChem CID43653837
Molecular FormulaC8H16ClNO2S2
Molecular Weight257.81 g/mol
Exact Mass257.03
IUPAC Name3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)CCCCl
InChIInChI=1S/C8H16ClNO2S2/c1-10(8-3-5-13-7-8)14(11,12)6-2-4-9/h8H,2-7H2,1H3
InChIKeyIWNROYBNQWFPHX-UHFFFAOYSA-N
XLogP1.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide (CID 43653837) is 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide is CN(C1CCSC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide?
The InChIKey is IWNROYBNQWFPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S2/c1-10(8-3-5-13-7-8)14(11,12)6-2-4-9/h8H,2-7H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide has a molecular weight of 257.81 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(thiolan-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 43653837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).