N-(3,3-dimethylbutyl)sulfamate

C6H14NO3S- — CID 59847904

IUPACN-(3,3-dimethylbutyl)sulfamate
SMILESCC(C)(C)CCNS(=O)(=O)[O-]
InChIInChI=1S/C6H15NO3S/c1-6(2,3)4-5-7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)/p-1
InChIKeyNQJNRRQBZPUBLR-UHFFFAOYSA-M
MW180.25 g/mol
LogP0.47
Rot. Bonds3

About N-(3,3-dimethylbutyl)sulfamate

N-(3,3-dimethylbutyl)sulfamate (PubChem CID 59847904) has the molecular formula C6H14NO3S- and a molecular weight of 180.25 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)sulfamate.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)sulfamate
PubChem CID59847904
Molecular FormulaC6H14NO3S-
Molecular Weight180.25 g/mol
Exact Mass180.07
IUPAC NameN-(3,3-dimethylbutyl)sulfamate
SMILESCC(C)(C)CCNS(=O)(=O)[O-]
InChIInChI=1S/C6H15NO3S/c1-6(2,3)4-5-7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)/p-1
InChIKeyNQJNRRQBZPUBLR-UHFFFAOYSA-M
XLogP0.47
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3,3-Dimethyl-1-(sulfinatoamino)butane
CID 19598457
N-(3,3-dimethylbutyl)methanesulfonamide
CID 20774379
3-Methyl-1-(sulfamoylamino)butane
CID 21345371
2,2-Dimethyl-3-(sulfinatoamino)butane
CID 57014862
2,2-Dimethyl-1-(sulfinatoamino)butane
CID 57042525
3-Methyl-1-(sulfinatoamino)butane
CID 57048746
3,3-Dimethylbutylsulfamic acid
CID 57071357
2-Methyl-1-(sulfinatoamino)butane
CID 57325381
3,3-Dimethyl-1-(sulfamoylamino)butane
CID 57664623
sodium N-(3-methylbutyl)sulfamate
CID 87409304
sodium N-(2-methylbutyl)sulfamate
CID 87409723
potassium N-(3,3-dimethylbutyl)sulfamate
CID 87410607

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)sulfamate?
The IUPAC name of N-(3,3-dimethylbutyl)sulfamate (CID 59847904) is N-(3,3-dimethylbutyl)sulfamate.
What is the SMILES notation for N-(3,3-dimethylbutyl)sulfamate?
The canonical SMILES for N-(3,3-dimethylbutyl)sulfamate is CC(C)(C)CCNS(=O)(=O)[O-].
What is the InChIKey of N-(3,3-dimethylbutyl)sulfamate?
The InChIKey is NQJNRRQBZPUBLR-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3S/c1-6(2,3)4-5-7-11(8,9)10/h7H,4-5H2,1-3H3,(H,8,9,10)/p-1.
What are the key properties of N-(3,3-dimethylbutyl)sulfamate?
N-(3,3-dimethylbutyl)sulfamate has a molecular weight of 180.25 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)sulfamate is sourced from PubChem (CID 59847904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).