1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide

C6H12ClNO2S2 — CID 80586209

IUPAC1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CCCS1
InChIInChI=1S/C6H12ClNO2S2/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2
InChIKeyIPVAOFYIHYWTKM-UHFFFAOYSA-N
MW229.75 g/mol
LogP1.00
Rot. Bonds4

About 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide

1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide (PubChem CID 80586209) has the molecular formula C6H12ClNO2S2 and a molecular weight of 229.75 g/mol. Its IUPAC name is 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide
PubChem CID80586209
Molecular FormulaC6H12ClNO2S2
Molecular Weight229.75 g/mol
Exact Mass229.00
IUPAC Name1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCC1CCCS1
InChIInChI=1S/C6H12ClNO2S2/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2
InChIKeyIPVAOFYIHYWTKM-UHFFFAOYSA-N
XLogP1.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(thiolan-2-ylmethyl)propane-1-sulfonamide
CID 80586248
4-(cyclopropylamino)-N-(thiolan-2-ylmethyl)butane-1-sulfonamide
CID 106071753
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
4-(2-aminoethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80586512
3,5-dimethyl-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80585796
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825
2-hydrazinyl-N-(thiolan-2-ylmethyl)pyridine-3-sulfonamide
CID 80585516
2,4-dichloro-5-(thiolan-2-ylmethylsulfamoyl)benzoic acid
CID 80583828
4-bromo-N-(thian-2-ylmethyl)benzenesulfonamide
CID 80613183
3-[methyl(thian-2-ylmethylsulfamoyl)amino]propanoic acid
CID 80600839
4-(1-hydroxyethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 80585886

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide (CID 80586209) is 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide is O=S(=O)(CCl)NCC1CCCS1.
What is the InChIKey of 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide?
The InChIKey is IPVAOFYIHYWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO2S2/c7-5-12(9,10)8-4-6-2-1-3-11-6/h6,8H,1-5H2.
What are the key properties of 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide?
1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide has a molecular weight of 229.75 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(thiolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 80586209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).