N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide

C9H21NO2S — CID 90398780

IUPACN-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)13(11,12)10-8(3)9(4,5)6/h7-8,10H,1-6H3
InChIKeyKPJMZJHVMGGZHQ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide

N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide (PubChem CID 90398780) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide
PubChem CID90398780
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)13(11,12)10-8(3)9(4,5)6/h7-8,10H,1-6H3
InChIKeyKPJMZJHVMGGZHQ-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide (CID 90398780) is N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide is CC(NS(=O)(=O)C(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide?
The InChIKey is KPJMZJHVMGGZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(2)13(11,12)10-8(3)9(4,5)6/h7-8,10H,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide?
N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 90398780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).