N-(ethoxysulfamoyl)-2-methylpropan-1-amine

C6H16N2O3S — CID 114814909

IUPACN-(ethoxysulfamoyl)-2-methylpropan-1-amine
SMILESCCONS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H16N2O3S/c1-4-11-8-12(9,10)7-5-6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyLPHBCVZUNNTCOV-UHFFFAOYSA-N
MW196.27 g/mol
LogP0.02
Rot. Bonds6

About N-(ethoxysulfamoyl)-2-methylpropan-1-amine

N-(ethoxysulfamoyl)-2-methylpropan-1-amine (PubChem CID 114814909) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(ethoxysulfamoyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(ethoxysulfamoyl)-2-methylpropan-1-amine
PubChem CID114814909
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC NameN-(ethoxysulfamoyl)-2-methylpropan-1-amine
SMILESCCONS(=O)(=O)NCC(C)C
InChIInChI=1S/C6H16N2O3S/c1-4-11-8-12(9,10)7-5-6(2)3/h6-8H,4-5H2,1-3H3
InChIKeyLPHBCVZUNNTCOV-UHFFFAOYSA-N
XLogP0.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(ethoxysulfamoyl)ethanamine
CID 114807184
N-(2-methoxyethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814915
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
N-(2-methylpropoxysulfamoyl)propan-1-amine
CID 114807196
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332
ethyl (2S)-2-(2-methylpropylsulfamoylcarbamoyloxy)propanoate
CID 10518038
2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
(2S,3S)-3-methyl-2-(2-methylpropylsulfamoylamino)pentanoic acid
CID 104978587
N-(2-methylpropyl)sulfamate
CID 59847903
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912

Frequently Asked Questions

What is the IUPAC name of N-(ethoxysulfamoyl)-2-methylpropan-1-amine?
The IUPAC name of N-(ethoxysulfamoyl)-2-methylpropan-1-amine (CID 114814909) is N-(ethoxysulfamoyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(ethoxysulfamoyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(ethoxysulfamoyl)-2-methylpropan-1-amine is CCONS(=O)(=O)NCC(C)C.
What is the InChIKey of N-(ethoxysulfamoyl)-2-methylpropan-1-amine?
The InChIKey is LPHBCVZUNNTCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-4-11-8-12(9,10)7-5-6(2)3/h6-8H,4-5H2,1-3H3.
What are the key properties of N-(ethoxysulfamoyl)-2-methylpropan-1-amine?
N-(ethoxysulfamoyl)-2-methylpropan-1-amine has a molecular weight of 196.27 g/mol, XLogP of 0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxysulfamoyl)-2-methylpropan-1-amine is sourced from PubChem (CID 114814909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).