1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide

C9H12ClNO2S2 — CID 63666222

IUPAC1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCc1cc2c(s1)CCC2
InChIInChI=1S/C9H12ClNO2S2/c10-6-15(12,13)11-5-8-4-7-2-1-3-9(7)14-8/h4,11H,1-3,5-6H2
InChIKeyRHTASBKEGCAVTB-UHFFFAOYSA-N
MW265.79 g/mol
LogP1.85
Rot. Bonds4

About 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide

1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide (PubChem CID 63666222) has the molecular formula C9H12ClNO2S2 and a molecular weight of 265.79 g/mol. Its IUPAC name is 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
PubChem CID63666222
Molecular FormulaC9H12ClNO2S2
Molecular Weight265.79 g/mol
Exact Mass265.00
IUPAC Name1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide
SMILESO=S(=O)(CCl)NCc1cc2c(s1)CCC2
InChIInChI=1S/C9H12ClNO2S2/c10-6-15(12,13)11-5-8-4-7-2-1-3-9(7)14-8/h4,11H,1-3,5-6H2
InChIKeyRHTASBKEGCAVTB-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.79
LogP ≤ 51.85
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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
CID 61209154
4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)butanoic acid
CID 61206867
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzenesulfonamide
CID 61209157
3-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-5-methylbenzenesulfonamide
CID 61207389
2-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-4-methylbenzenesulfonamide
CID 61209155
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61206682
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-3-fluoropyridine-2-sulfonamide
CID 103299818
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N-methylbenzenesulfonamide
CID 61208189
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528
2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106194077
2-(bromomethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 62726946

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide (CID 63666222) is 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide is O=S(=O)(CCl)NCc1cc2c(s1)CCC2.
What is the InChIKey of 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide?
The InChIKey is RHTASBKEGCAVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S2/c10-6-15(12,13)11-5-8-4-7-2-1-3-9(7)14-8/h4,11H,1-3,5-6H2.
What are the key properties of 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide?
1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide has a molecular weight of 265.79 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63666222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).