amino N,N-bis(2-methylpropyl)sulfamate

C8H20N2O3S — CID 144898058

IUPACamino N,N-bis(2-methylpropyl)sulfamate
SMILESCC(C)CN(CC(C)C)S(=O)(=O)ON
InChIInChI=1S/C8H20N2O3S/c1-7(2)5-10(6-8(3)4)14(11,12)13-9/h7-8H,5-6,9H2,1-4H3
InChIKeyGVYIDDSAJOBYEV-UHFFFAOYSA-N
MW224.33 g/mol
LogP0.74
Rot. Bonds6

About amino N,N-bis(2-methylpropyl)sulfamate

amino N,N-bis(2-methylpropyl)sulfamate (PubChem CID 144898058) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is amino N,N-bis(2-methylpropyl)sulfamate.

Molecular Properties

Compound Nameamino N,N-bis(2-methylpropyl)sulfamate
PubChem CID144898058
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Nameamino N,N-bis(2-methylpropyl)sulfamate
SMILESCC(C)CN(CC(C)C)S(=O)(=O)ON
InChIInChI=1S/C8H20N2O3S/c1-7(2)5-10(6-8(3)4)14(11,12)13-9/h7-8H,5-6,9H2,1-4H3
InChIKeyGVYIDDSAJOBYEV-UHFFFAOYSA-N
XLogP0.74
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-dipropylsulfamide
CID 20184392
N-(dipropylsulfamoyl)-N-propylpropan-1-amine
CID 44424363
(Dibutylsulfamoyl)amine
CID 15569632
N,N-diisobutylsulfamide
CID 44381123
N,N-Dimethyl-N',N'-dipropylsulfamide
CID 224654
2-Methyl-1-[2-methylpropyl(sulfinato)amino]propane
CID 21933602
1-[Butyl(sulfamoyl)amino]butane;methane
CID 23202414
2-Methyl-1-[methyl(sulfamoyl)amino]propane
CID 43272368
2,2-Dimethyl-1-[propan-2-yl(sulfamoyl)amino]propane
CID 58780672
2-methyl-N-(2-methylpropyl)-N-sulfinatopropan-1-amine;rubidium(1+)
CID 59450894
N-(diethylsulfamoyl)-N-propylpropan-1-amine
CID 60713792
2-Methyl-1-[propan-2-yl(sulfamoyl)amino]propane
CID 61074405

Frequently Asked Questions

What is the IUPAC name of amino N,N-bis(2-methylpropyl)sulfamate?
The IUPAC name of amino N,N-bis(2-methylpropyl)sulfamate (CID 144898058) is amino N,N-bis(2-methylpropyl)sulfamate.
What is the SMILES notation for amino N,N-bis(2-methylpropyl)sulfamate?
The canonical SMILES for amino N,N-bis(2-methylpropyl)sulfamate is CC(C)CN(CC(C)C)S(=O)(=O)ON.
What is the InChIKey of amino N,N-bis(2-methylpropyl)sulfamate?
The InChIKey is GVYIDDSAJOBYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-7(2)5-10(6-8(3)4)14(11,12)13-9/h7-8H,5-6,9H2,1-4H3.
What are the key properties of amino N,N-bis(2-methylpropyl)sulfamate?
amino N,N-bis(2-methylpropyl)sulfamate has a molecular weight of 224.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino N,N-bis(2-methylpropyl)sulfamate is sourced from PubChem (CID 144898058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).