N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide

C11H20ClNO4S2 — CID 65031340

IUPACN-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NC2(CCl)CCCC2)CC1
InChIInChI=1S/C11H20ClNO4S2/c12-9-11(5-1-2-6-11)13-19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-9H2
InChIKeyMIXYZUQIFFLMLA-UHFFFAOYSA-N
MW329.87 g/mol
LogP1.03
Rot. Bonds4

About N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide

N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide (PubChem CID 65031340) has the molecular formula C11H20ClNO4S2 and a molecular weight of 329.87 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide
PubChem CID65031340
Molecular FormulaC11H20ClNO4S2
Molecular Weight329.87 g/mol
Exact Mass329.05
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NC2(CCl)CCCC2)CC1
InChIInChI=1S/C11H20ClNO4S2/c12-9-11(5-1-2-6-11)13-19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-9H2
InChIKeyMIXYZUQIFFLMLA-UHFFFAOYSA-N
XLogP1.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide (CID 65031340) is N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NC2(CCl)CCCC2)CC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide?
The InChIKey is MIXYZUQIFFLMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO4S2/c12-9-11(5-1-2-6-11)13-19(16,17)10-3-7-18(14,15)8-4-10/h10,13H,1-9H2.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide?
N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide has a molecular weight of 329.87 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 65031340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).