N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide

C13H29NO2S — CID 18735750

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

About N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide

N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide (PubChem CID 18735750) has the molecular formula C13H29NO2S and a molecular weight of 263.45 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide
PubChem CID18735750
Molecular FormulaC13H29NO2S
Molecular Weight263.45 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide
SMILESCCCN(CCC(C)(C)C)S(=O)(=O)CC(C)C
InChIInChI=1S/C13H29NO2S/c1-7-9-14(10-8-13(4,5)6)17(15,16)11-12(2)3/h12H,7-11H2,1-6H3
InChIKeyOHNAIPPVRRIXTP-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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)-2-methyl-N-propylpropane-1-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide (CID 18735750) is N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide is CCCN(CCC(C)(C)C)S(=O)(=O)CC(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide?
The InChIKey is OHNAIPPVRRIXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2S/c1-7-9-14(10-8-13(4,5)6)17(15,16)11-12(2)3/h12H,7-11H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide?
N-(3,3-dimethylbutyl)-2-methyl-N-propylpropane-1-sulfonamide has a molecular weight of 263.45 g/mol, XLogP of 3.12, 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)-2-methyl-N-propylpropane-1-sulfonamide is sourced from PubChem (CID 18735750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).