1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol

C9H23N3O3S — CID 114811352

IUPAC1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O3S/c1-8(13)7-10-5-6-11-16(14,15)12-9(2,3)4/h8,10-13H,5-7H2,1-4H3
InChIKeyXOEVNXQTYKWIPH-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.82
Rot. Bonds7

About 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol

1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol (PubChem CID 114811352) has the molecular formula C9H23N3O3S and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
PubChem CID114811352
Molecular FormulaC9H23N3O3S
Molecular Weight253.37 g/mol
Exact Mass253.15
IUPAC Name1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
SMILESCC(O)CNCCNS(=O)(=O)NC(C)(C)C
InChIInChI=1S/C9H23N3O3S/c1-8(13)7-10-5-6-11-16(14,15)12-9(2,3)4/h8,10-13H,5-7H2,1-4H3
InChIKeyXOEVNXQTYKWIPH-UHFFFAOYSA-N
XLogP-0.82
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
2-hydroxy-1-[2-(sulfamoylamino)ethylamino]propane
CID 114959448
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
N-tert-butyl-3-[[(2R)-2-hydroxypropyl]amino]propanamide
CID 106932485
1-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114810886
3-(tert-butylsulfamoylamino)-N'-hydroxy-2-methylpropanimidamide
CID 104978430
N-[2-(2-hydroxypropylamino)ethyl]-2-methoxyethanesulfonamide
CID 104594111
N-[2-(2-hydroxypropylamino)ethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104593954
3-(tert-butylsulfamoylamino)-2-methylpropanenitrile
CID 104538456
N-[1-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 106932132

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol?
The IUPAC name of 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol (CID 114811352) is 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol.
What is the SMILES notation for 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol?
The canonical SMILES for 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol is CC(O)CNCCNS(=O)(=O)NC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol?
The InChIKey is XOEVNXQTYKWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3O3S/c1-8(13)7-10-5-6-11-16(14,15)12-9(2,3)4/h8,10-13H,5-7H2,1-4H3.
What are the key properties of 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol?
1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol has a molecular weight of 253.37 g/mol, XLogP of -0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol is sourced from PubChem (CID 114811352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).