1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol

C9H23N3O3S — CID 79390311

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CCCN)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H23N3O3S/c1-9(2,13)8-12(4)16(14,15)11(3)7-5-6-10/h13H,5-8,10H2,1-4H3
InChIKeyBKYQZSUERZRNGT-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.79
Rot. Bonds7

About 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol

1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79390311) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
PubChem CID79390311
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol
SMILESCN(CCCN)S(=O)(=O)N(C)CC(C)(C)O
InChIInChI=1S/C9H23N3O3S/c1-9(2,13)8-12(4)16(14,15)11(3)7-5-6-10/h13H,5-8,10H2,1-4H3
InChIKeyBKYQZSUERZRNGT-UHFFFAOYSA-N
XLogP-0.79
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Dimethylamino)-2-methyl-3-(2,2,2-trifluoroethylsulfamoylamino)propan-2-ol
CID 114149548
1-[3-[(2-Hydroxy-2-methylpropyl)amino]propylamino]-2-methylpropan-2-ol
CID 118555469
N-ethyl-N-[3-[(2-hydroxy-2-methylpropyl)amino]propyl]methanesulfonamide
CID 61013547
1-[[3-Aminopropyl(methyl)sulfamoyl]-methylamino]propan-2-ol
CID 62333189
2-Hydroxy-2-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 65112805
1-[[Butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylbutane
CID 65112864
1-(Diethylsulfamoylamino)-2-hydroxy-2-methylpropane
CID 65112983
1-[[Butyl(methyl)sulfamoyl]amino]-2-hydroxy-2-methylpropane
CID 65113164
1-(Dipropylsulfamoylamino)-2-hydroxy-2-methylpropane
CID 65113166
1-(Dimethylsulfamoylamino)-2-hydroxy-2-methylpropane
CID 65113389
1-[Dimethylsulfamoyl(methyl)amino]-2-methylpropan-2-ol
CID 79387046
1-[Diethylsulfamoyl(methyl)amino]-2-methylpropan-2-ol
CID 79387047

Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol (CID 79390311) is 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol is CN(CCCN)S(=O)(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is BKYQZSUERZRNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-9(2,13)8-12(4)16(14,15)11(3)7-5-6-10/h13H,5-8,10H2,1-4H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol?
1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 253.37 g/mol, XLogP of -0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-aminopropyl(methyl)sulfamoyl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).