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

C11H16ClNO2S2 — CID 61209154

IUPAC3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16ClNO2S2/c12-5-2-6-17(14,15)13-8-10-7-9-3-1-4-11(9)16-10/h7,13H,1-6,8H2
InChIKeyXITYBKRUYIVQCH-UHFFFAOYSA-N
MW293.84 g/mol
LogP2.29
Rot. Bonds6

About 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide

3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide (PubChem CID 61209154) has the molecular formula C11H16ClNO2S2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
PubChem CID61209154
Molecular FormulaC11H16ClNO2S2
Molecular Weight293.84 g/mol
Exact Mass293.03
IUPAC Name3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCCCl)NCc1cc2c(s1)CCC2
InChIInChI=1S/C11H16ClNO2S2/c12-5-2-6-17(14,15)13-8-10-7-9-3-1-4-11(9)16-10/h7,13H,1-6,8H2
InChIKeyXITYBKRUYIVQCH-UHFFFAOYSA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide (CID 61209154) is 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide is O=S(=O)(CCCCl)NCc1cc2c(s1)CCC2.
What is the InChIKey of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide?
The InChIKey is XITYBKRUYIVQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S2/c12-5-2-6-17(14,15)13-8-10-7-9-3-1-4-11(9)16-10/h7,13H,1-6,8H2.
What are the key properties of 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide?
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide has a molecular weight of 293.84 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 61209154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).