N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide

C13H29NO2S — CID 18735834

IUPACN-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)CCC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-8-12-17(15,16)14(10-7-2)11-9-13(3,4)5/h6-12H2,1-5H3
InChIKeyNCIJDSUVPJOKCY-UHFFFAOYSA-N
MW263.45 g/mol
LogP3.26
Rot. Bonds8

About N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide

N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide (PubChem CID 18735834) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
PubChem CID18735834
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)N(CCC)CCC(C)(C)C
InChIInChI=1S/C13H29NO2S/c1-6-8-12-17(15,16)14(10-7-2)11-9-13(3,4)5/h6-12H2,1-5H3
InChIKeyNCIJDSUVPJOKCY-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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-(3,3-dimethylbutyl)-3,3,3-trifluoro-N-propylpropane-1-sulfonamide
CID 18735755
N-(2-chloroethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
CID 103521701
N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide
CID 18735750
N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
CID 18736075
N-(cyanomethyl)-3,3-dimethyl-N-propylbutane-1-sulfonamide
CID 103521132
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
4-[butylsulfonyl(2-carboxyethyl)amino]butanoic acid
CID 82326450
3-amino-N-ethyl-N-propylpropane-1-sulfonamide
CID 60910344
N,N-dipentylethanesulfonamide
CID 3453334
N-(1-amino-2-methylbutan-2-yl)-N-propylbutane-1-sulfonamide
CID 62009247
N-(3-chloropropyl)-N-ethyl-3,3-dimethylbutane-1-sulfonamide
CID 103521829

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide (CID 18735834) is N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide is CCCCS(=O)(=O)N(CCC)CCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide?
The InChIKey is NCIJDSUVPJOKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-6-8-12-17(15,16)14(10-7-2)11-9-13(3,4)5/h6-12H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide?
N-(3,3-dimethylbutyl)-N-propylbutane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.26, 8 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-propylbutane-1-sulfonamide is sourced from PubChem (CID 18735834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).