1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane

C9H23N3O2S — CID 114813873

IUPAC1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)7-11-15(13,14)12(6-5-10)9(3)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyZKQYXNOHQJNONP-UHFFFAOYSA-N
MW237.37 g/mol
LogP0.15
Rot. Bonds7

About 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane

1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane (PubChem CID 114813873) has the molecular formula C9H23N3O2S and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane.

Molecular Properties

Compound Name1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane
PubChem CID114813873
Molecular FormulaC9H23N3O2S
Molecular Weight237.37 g/mol
Exact Mass237.15
IUPAC Name1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane
SMILESCC(C)CNS(=O)(=O)N(CCN)C(C)C
InChIInChI=1S/C9H23N3O2S/c1-8(2)7-11-15(13,14)12(6-5-10)9(3)4/h8-9,11H,5-7,10H2,1-4H3
InChIKeyZKQYXNOHQJNONP-UHFFFAOYSA-N
XLogP0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
1-[3-aminopropyl(2-methylpropylsulfamoyl)amino]-4-fluorobenzene
CID 114813771
2-[methyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814529
1-(aminomethyl)-4-[methyl(2-methylpropylsulfamoyl)amino]benzene
CID 114813824
3-[ethyl(2-methylpropylsulfamoyl)amino]propanoic acid
CID 114814475
N'-hydroxy-2-[2-methylpropylsulfamoyl(propyl)amino]ethanimidamide
CID 104978790
N-(2-methylpropyl)sulfamate
CID 59847903
1-(aminomethyl)-4-methyl-1-[2-methylpropylsulfamoyl(propyl)amino]cyclohexane
CID 114813896
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
methyl 4-[methyl(2-methylpropylsulfamoyl)amino]butanoate
CID 114816337
1-amino-2-[methyl(2-methylpropylsulfamoyl)amino]benzene
CID 114814154
1-(aminomethyl)-2-[[ethyl(2-methylpropylsulfamoyl)amino]methyl]benzene
CID 114813844

Frequently Asked Questions

What is the IUPAC name of 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane?
The IUPAC name of 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane (CID 114813873) is 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane.
What is the SMILES notation for 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane?
The canonical SMILES for 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane is CC(C)CNS(=O)(=O)N(CCN)C(C)C.
What is the InChIKey of 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane?
The InChIKey is ZKQYXNOHQJNONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O2S/c1-8(2)7-11-15(13,14)12(6-5-10)9(3)4/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane?
1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane has a molecular weight of 237.37 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-aminoethyl(propan-2-yl)sulfamoyl]amino]-2-methylpropane is sourced from PubChem (CID 114813873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).