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

C14H31NO2S — CID 18735757

IUPACN-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCC(C)C
InChIInChI=1S/C14H31NO2S/c1-7-10-15(11-9-14(4,5)6)18(16,17)12-8-13(2)3/h13H,7-12H2,1-6H3
InChIKeyZBEFBSYJGWRAST-UHFFFAOYSA-N
MW277.47 g/mol
LogP3.51
Rot. Bonds8

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

N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide (PubChem CID 18735757) has the molecular formula C14H31NO2S and a molecular weight of 277.47 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide
PubChem CID18735757
Molecular FormulaC14H31NO2S
Molecular Weight277.47 g/mol
Exact Mass277.21
IUPAC NameN-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CCC(C)C
InChIInChI=1S/C14H31NO2S/c1-7-10-15(11-9-14(4,5)6)18(16,17)12-8-13(2)3/h13H,7-12H2,1-6H3
InChIKeyZBEFBSYJGWRAST-UHFFFAOYSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.47
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide (CID 18735757) is N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CCC(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide?
The InChIKey is ZBEFBSYJGWRAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2S/c1-7-10-15(11-9-14(4,5)6)18(16,17)12-8-13(2)3/h13H,7-12H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide?
N-(3,3-dimethylbutyl)-3-methyl-N-propylbutane-1-sulfonamide has a molecular weight of 277.47 g/mol, XLogP of 3.51, 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)-3-methyl-N-propylbutane-1-sulfonamide is sourced from PubChem (CID 18735757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).