N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide

C9H21NO2S — CID 176640434

IUPACN,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)9(5)13(11,12)10(6)8(3)4/h7-9H,1-6H3
InChIKeyXPYOBIFLPZOTTL-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.70
Rot. Bonds4

About N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide

N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide (PubChem CID 176640434) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide
PubChem CID176640434
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide
SMILESCC(C)C(C)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H21NO2S/c1-7(2)9(5)13(11,12)10(6)8(3)4/h7-9H,1-6H3
InChIKeyXPYOBIFLPZOTTL-UHFFFAOYSA-N
XLogP1.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-3-methylpentane-1-sulfonamide
CID 11356480
N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
N,N-di(butan-2-yl)ethanesulfonamide
CID 4100602
N-methyl-N-(2-methylpropyl)propane-2-sulfonamide
CID 18343503
N-methyl-N-propan-2-ylpropane-2-sulfonamide
CID 18343509
N-(3,3-dimethylbutyl)-2-methyl-N-propan-2-ylpropane-1-sulfonamide
CID 18735828
N-(3,3-dimethylbutyl)-3-methyl-N-propan-2-ylbutane-1-sulfonamide
CID 18735829
N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide
CID 18735830
N,N,3-trimethylbutane-1-sulfonamide
CID 20712477
1,1-dicyano-N-methyl-N-(3-methylbutan-2-yl)methanesulfonamide
CID 20715329
N-(2,3-dimethylbutan-2-yl)-N-methylpropane-2-sulfonamide
CID 20720087
N,2,3-trimethyl-N-propan-2-ylbutane-2-sulfonamide
CID 20720089

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide?
The IUPAC name of N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide (CID 176640434) is N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide.
What is the SMILES notation for N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide?
The canonical SMILES for N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide is CC(C)C(C)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide?
The InChIKey is XPYOBIFLPZOTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(2)9(5)13(11,12)10(6)8(3)4/h7-9H,1-6H3.
What are the key properties of N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide?
N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-propan-2-ylbutane-2-sulfonamide is sourced from PubChem (CID 176640434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).