N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide

C10H18ClNO4S2 — CID 63397038

IUPACN-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCCl)C2CC2)CC1
InChIInChI=1S/C10H18ClNO4S2/c11-5-6-12(9-1-2-9)18(15,16)10-3-7-17(13,14)8-4-10/h9-10H,1-8H2
InChIKeyHZETYWGOXSQWRS-UHFFFAOYSA-N
MW315.84 g/mol
LogP0.60
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide

N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide (PubChem CID 63397038) has the molecular formula C10H18ClNO4S2 and a molecular weight of 315.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide
PubChem CID63397038
Molecular FormulaC10H18ClNO4S2
Molecular Weight315.84 g/mol
Exact Mass315.04
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)N(CCCl)C2CC2)CC1
InChIInChI=1S/C10H18ClNO4S2/c11-5-6-12(9-1-2-9)18(15,16)10-3-7-17(13,14)8-4-10/h9-10H,1-8H2
InChIKeyHZETYWGOXSQWRS-UHFFFAOYSA-N
XLogP0.60
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 50.60
H-Bond Donors ≤ 50
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-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide (CID 63397038) is N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide is O=S1(=O)CCC(S(=O)(=O)N(CCCl)C2CC2)CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide?
The InChIKey is HZETYWGOXSQWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO4S2/c11-5-6-12(9-1-2-9)18(15,16)10-3-7-17(13,14)8-4-10/h9-10H,1-8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide?
N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide has a molecular weight of 315.84 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 63397038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).