N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide

C9H21NO4S — CID 63856064

IUPACN-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)CCC(C)C)OC
InChIInChI=1S/C9H21NO4S/c1-8(2)5-6-15(11,12)10-7-9(13-3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyGBEDZXUDPZQYGR-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.57
Rot. Bonds8

About N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide

N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide (PubChem CID 63856064) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
PubChem CID63856064
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide
SMILESCOC(CNS(=O)(=O)CCC(C)C)OC
InChIInChI=1S/C9H21NO4S/c1-8(2)5-6-15(11,12)10-7-9(13-3)14-4/h8-10H,5-7H2,1-4H3
InChIKeyGBEDZXUDPZQYGR-UHFFFAOYSA-N
XLogP0.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylbutyl)-3-methylbutane-1-sulfonamide
CID 115613306
1-(2,2-dimethoxyethylsulfonyl)-3-methylbutane
CID 107767944
N-(3-ethyl-2-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 113317358
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
N-(2-bromo-4,4-dimethylpentyl)-3-methylbutane-1-sulfonamide
CID 107158135
1-cyclopropyl-N-(2,2-dimethoxyethyl)methanesulfonamide
CID 64987276
N-(4-hydroxypentyl)-3-methylbutane-1-sulfonamide
CID 107271294
3-amino-N-(2-methoxypropyl)propane-1-sulfonamide
CID 102697740
N-(4-bromopentyl)-3-methylbutane-1-sulfonamide
CID 106135738
N-(3-bromo-4-methoxybutyl)-3-methylbutane-1-sulfonamide
CID 106245684
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide (CID 63856064) is N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide is COC(CNS(=O)(=O)CCC(C)C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide?
The InChIKey is GBEDZXUDPZQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-8(2)5-6-15(11,12)10-7-9(13-3)14-4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide?
N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 63856064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).