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

C10H25N3O3S — CID 79389735

IUPAC1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O3S/c1-5-13(9-10(2,3)14)17(15,16)12(4)8-6-7-11/h14H,5-9,11H2,1-4H3
InChIKeyVQMASBSKYAYVRA-UHFFFAOYSA-N
MW267.39 g/mol
LogP-0.40
Rot. Bonds8

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

1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol (PubChem CID 79389735) has the molecular formula C10H25N3O3S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
PubChem CID79389735
Molecular FormulaC10H25N3O3S
Molecular Weight267.39 g/mol
Exact Mass267.16
IUPAC Name1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)S(=O)(=O)N(C)CCCN
InChIInChI=1S/C10H25N3O3S/c1-5-13(9-10(2,3)14)17(15,16)12(4)8-6-7-11/h14H,5-9,11H2,1-4H3
InChIKeyVQMASBSKYAYVRA-UHFFFAOYSA-N
XLogP-0.40
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol (CID 79389735) is 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)S(=O)(=O)N(C)CCCN.
What is the InChIKey of 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
The InChIKey is VQMASBSKYAYVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O3S/c1-5-13(9-10(2,3)14)17(15,16)12(4)8-6-7-11/h14H,5-9,11H2,1-4H3.
What are the key properties of 1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol?
1-[[3-aminopropyl(methyl)sulfamoyl]-ethylamino]-2-methylpropan-2-ol has a molecular weight of 267.39 g/mol, XLogP of -0.40, 8 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]-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79389735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).