3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide

C10H22ClNO2S — CID 60959417

IUPAC3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide
SMILESCC(N(C)S(=O)(=O)CCCCl)C(C)(C)C
InChIInChI=1S/C10H22ClNO2S/c1-9(10(2,3)4)12(5)15(13,14)8-6-7-11/h9H,6-8H2,1-5H3
InChIKeyYVWMYFCFWUXNKL-UHFFFAOYSA-N
MW255.81 g/mol
LogP2.31
Rot. Bonds5

About 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide

3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide (PubChem CID 60959417) has the molecular formula C10H22ClNO2S and a molecular weight of 255.81 g/mol. Its IUPAC name is 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide
PubChem CID60959417
Molecular FormulaC10H22ClNO2S
Molecular Weight255.81 g/mol
Exact Mass255.11
IUPAC Name3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide
SMILESCC(N(C)S(=O)(=O)CCCCl)C(C)(C)C
InChIInChI=1S/C10H22ClNO2S/c1-9(10(2,3)4)12(5)15(13,14)8-6-7-11/h9H,6-8H2,1-5H3
InChIKeyYVWMYFCFWUXNKL-UHFFFAOYSA-N
XLogP2.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.81
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide (CID 60959417) is 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide is CC(N(C)S(=O)(=O)CCCCl)C(C)(C)C.
What is the InChIKey of 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide?
The InChIKey is YVWMYFCFWUXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22ClNO2S/c1-9(10(2,3)4)12(5)15(13,14)8-6-7-11/h9H,6-8H2,1-5H3.
What are the key properties of 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide?
3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide has a molecular weight of 255.81 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 60959417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).