N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide

C12H27NO2S — CID 58124408

IUPACN-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-9(2)11(12(5,6)7)8-13-16(14,15)10(3)4/h9-11,13H,8H2,1-7H3
InChIKeyCATSAIHVYYYMNX-UHFFFAOYSA-N
MW249.42 g/mol
LogP2.63
Rot. Bonds5

About N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide

N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide (PubChem CID 58124408) has the molecular formula C12H27NO2S and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide
PubChem CID58124408
Molecular FormulaC12H27NO2S
Molecular Weight249.42 g/mol
Exact Mass249.18
IUPAC NameN-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide
SMILESCC(C)C(CNS(=O)(=O)C(C)C)C(C)(C)C
InChIInChI=1S/C12H27NO2S/c1-9(2)11(12(5,6)7)8-13-16(14,15)10(3)4/h9-11,13H,8H2,1-7H3
InChIKeyCATSAIHVYYYMNX-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide (CID 58124408) is N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide is CC(C)C(CNS(=O)(=O)C(C)C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide?
The InChIKey is CATSAIHVYYYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2S/c1-9(2)11(12(5,6)7)8-13-16(14,15)10(3)4/h9-11,13H,8H2,1-7H3.
What are the key properties of N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide?
N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide has a molecular weight of 249.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-propan-2-ylbutyl)propane-2-sulfonamide is sourced from PubChem (CID 58124408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).