3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide

C10H22ClNO3S — CID 81061526

IUPAC3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H22ClNO3S/c1-9(2)15-6-5-12(4)16(13,14)8-10(3)7-11/h9-10H,5-8H2,1-4H3
InChIKeyOHEQRDHENNIQSJ-UHFFFAOYSA-N
MW271.81 g/mol
LogP1.55
Rot. Bonds8

About 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide

3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide (PubChem CID 81061526) has the molecular formula C10H22ClNO3S and a molecular weight of 271.81 g/mol. Its IUPAC name is 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
PubChem CID81061526
Molecular FormulaC10H22ClNO3S
Molecular Weight271.81 g/mol
Exact Mass271.10
IUPAC Name3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)CCOC(C)C
InChIInChI=1S/C10H22ClNO3S/c1-9(2)15-6-5-12(4)16(13,14)8-10(3)7-11/h9-10H,5-8H2,1-4H3
InChIKeyOHEQRDHENNIQSJ-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.81
LogP ≤ 51.55
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,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide (CID 81061526) is 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)CCOC(C)C.
What is the InChIKey of 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
The InChIKey is OHEQRDHENNIQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO3S/c1-9(2)15-6-5-12(4)16(13,14)8-10(3)7-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide?
3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide has a molecular weight of 271.81 g/mol, XLogP of 1.55, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,2-dimethyl-N-(2-propan-2-yloxyethyl)propane-1-sulfonamide is sourced from PubChem (CID 81061526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).