N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide

C13H29NO2S — CID 18735830

IUPACN-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C13H29NO2S/c1-7-8-11-17(15,16)14(12(2)3)10-9-13(4,5)6/h12H,7-11H2,1-6H3
InChIKeyXXJHCDXFWRNAJM-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds7

About N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide

N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide (PubChem CID 18735830) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide
PubChem CID18735830
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C13H29NO2S/c1-7-8-11-17(15,16)14(12(2)3)10-9-13(4,5)6/h12H,7-11H2,1-6H3
InChIKeyXXJHCDXFWRNAJM-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dibutylethanesulfonamide
CID 303050
N,N-diethyl-3,3-dimethylbutane-1-sulfonamide
CID 11435984
N-[(2R)-3,3-dimethylbutan-2-yl]-N-propylmethanesulfonamide
CID 129190238
N-(3,3-dimethylcyclobutyl)-N-ethylcyclopropanesulfonamide
CID 128779588
N-(3,3-dimethylbutyl)-2,2,2-trifluoro-N-propylethanesulfonamide
CID 18735741
N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735744
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propan-2-ylpropane-1-sulfonamide
CID 18735754
N-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(3,3-dimethylbutyl)-3,3-difluoro-N-propylpropane-1-sulfonamide
CID 18735756
N-(3,3-dimethylbutyl)-4,4,4-trifluoro-N-propylbutane-1-sulfonamide
CID 18735763
N-butyl-N-(3,3-dimethylbutyl)-2,2,2-trifluoroethanesulfonamide
CID 18736074
N-butyl-N-(3,3-dimethylbutyl)-3,3,3-trifluoropropane-1-sulfonamide
CID 18736080

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide (CID 18735830) is N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC(C)(C)C)C(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide?
The InChIKey is XXJHCDXFWRNAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-7-8-11-17(15,16)14(12(2)3)10-9-13(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide?
N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-N-propan-2-ylbutane-1-sulfonamide is sourced from PubChem (CID 18735830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).