N-(2-methylpropyl)sulfamate

C4H10NO3S- — CID 59847903

IUPACN-(2-methylpropyl)sulfamate
SMILESCC(C)CNS(=O)(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8)/p-1
InChIKeyIQQOKNDVBQTTAP-UHFFFAOYSA-M
MW152.19 g/mol
LogP-0.31
Rot. Bonds3

About N-(2-methylpropyl)sulfamate

N-(2-methylpropyl)sulfamate (PubChem CID 59847903) has the molecular formula C4H10NO3S- and a molecular weight of 152.19 g/mol. Its IUPAC name is N-(2-methylpropyl)sulfamate.

Molecular Properties

Compound NameN-(2-methylpropyl)sulfamate
PubChem CID59847903
Molecular FormulaC4H10NO3S-
Molecular Weight152.19 g/mol
Exact Mass152.04
IUPAC NameN-(2-methylpropyl)sulfamate
SMILESCC(C)CNS(=O)(=O)[O-]
InChIInChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8)/p-1
InChIKeyIQQOKNDVBQTTAP-UHFFFAOYSA-M
XLogP-0.31
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 5-0.31
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

sodium (2-methylpropylamino)methanesulfonate
CID 55252891
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
N-(ethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814909
2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
(3S)-3-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 95141775
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
3-amino-5-methyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114816194
3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815587
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
methyl 2-(2-methylpropylsulfamoyl)acetate
CID 63928470

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)sulfamate?
The IUPAC name of N-(2-methylpropyl)sulfamate (CID 59847903) is N-(2-methylpropyl)sulfamate.
What is the SMILES notation for N-(2-methylpropyl)sulfamate?
The canonical SMILES for N-(2-methylpropyl)sulfamate is CC(C)CNS(=O)(=O)[O-].
What is the InChIKey of N-(2-methylpropyl)sulfamate?
The InChIKey is IQQOKNDVBQTTAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H11NO3S/c1-4(2)3-5-9(6,7)8/h4-5H,3H2,1-2H3,(H,6,7,8)/p-1.
What are the key properties of N-(2-methylpropyl)sulfamate?
N-(2-methylpropyl)sulfamate has a molecular weight of 152.19 g/mol, XLogP of -0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)sulfamate is sourced from PubChem (CID 59847903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).