N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide

C10H23NO2S — CID 58124599

IUPACN-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)7-11-14(6,12)13/h8-9,11H,7H2,1-6H3
InChIKeyMDXQRBLRJYDSJL-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.85
Rot. Bonds4

About N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide

N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide (PubChem CID 58124599) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide
PubChem CID58124599
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC NameN-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide
SMILESCC(C)C(CNS(C)(=O)=O)C(C)(C)C
InChIInChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)7-11-14(6,12)13/h8-9,11H,7H2,1-6H3
InChIKeyMDXQRBLRJYDSJL-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(2-ethyl-2,3-dimethylbutyl)-1,1,1-trifluoromethanesulfonamide
CID 163926699
1,1-difluoro-N-(3-methyl-2-propan-2-ylbutyl)methanesulfonamide
CID 102912988
N-(4-methylpentyl)methanesulfonamide
CID 3330230
N-(2,3,3,4,4-pentamethylpentan-2-yl)methanesulfonamide
CID 18681650
N-(4,4,5,5-tetramethylhexyl)methanesulfonamide
CID 20706667
N-(4,4,5-trimethylhexyl)methanesulfonamide
CID 20706669
N-(5,5,6,6-tetramethylheptyl)methanesulfonamide
CID 20706688
N-(5,5,6-trimethylheptyl)methanesulfonamide
CID 20706689
N-(5,5-dimethylhexyl)methanesulfonamide
CID 20706690
N-(3,3,4,4-tetramethylpentyl)methanesulfonamide
CID 20774377
N-(3,3-dimethylbutyl)methanesulfonamide
CID 20774379

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide (CID 58124599) is N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide is CC(C)C(CNS(C)(=O)=O)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide?
The InChIKey is MDXQRBLRJYDSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-8(2)9(10(3,4)5)7-11-14(6,12)13/h8-9,11H,7H2,1-6H3.
What are the key properties of N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide?
N-(3,3-dimethyl-2-propan-2-ylbutyl)methanesulfonamide has a molecular weight of 221.37 g/mol, XLogP of 1.85, 4 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)methanesulfonamide is sourced from PubChem (CID 58124599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).