3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide

C10H20ClNO3S — CID 60959201

IUPAC3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-2-12(8-10-4-6-15-9-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3
InChIKeyHIUBKSXAVRVTFJ-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.30
Rot. Bonds7

About 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide

3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide (PubChem CID 60959201) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide
PubChem CID60959201
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide
SMILESCCN(CC1CCOC1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H20ClNO3S/c1-2-12(8-10-4-6-15-9-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3
InChIKeyHIUBKSXAVRVTFJ-UHFFFAOYSA-N
XLogP1.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.30
H-Bond Donors ≤ 50
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-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide (CID 60959201) is 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide is CCN(CC1CCOC1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide?
The InChIKey is HIUBKSXAVRVTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-2-12(8-10-4-6-15-9-10)16(13,14)7-3-5-11/h10H,2-9H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide?
3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(oxolan-3-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 60959201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).