3-(2-methylpropylsulfamoylamino)propan-1-ol

C7H18N2O3S — CID 114815587

IUPAC3-(2-methylpropylsulfamoylamino)propan-1-ol
SMILESCC(C)CNS(=O)(=O)NCCCO
InChIInChI=1S/C7H18N2O3S/c1-7(2)6-9-13(11,12)8-4-3-5-10/h7-10H,3-6H2,1-2H3
InChIKeyIBUSHRUDVQWOEG-UHFFFAOYSA-N
MW210.30 g/mol
LogP-0.55
Rot. Bonds7

About 3-(2-methylpropylsulfamoylamino)propan-1-ol

3-(2-methylpropylsulfamoylamino)propan-1-ol (PubChem CID 114815587) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is 3-(2-methylpropylsulfamoylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-methylpropylsulfamoylamino)propan-1-ol
PubChem CID114815587
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC Name3-(2-methylpropylsulfamoylamino)propan-1-ol
SMILESCC(C)CNS(=O)(=O)NCCCO
InChIInChI=1S/C7H18N2O3S/c1-7(2)6-9-13(11,12)8-4-3-5-10/h7-10H,3-6H2,1-2H3
InChIKeyIBUSHRUDVQWOEG-UHFFFAOYSA-N
XLogP-0.55
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-methylpropylsulfamoylamino)propan-1-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

2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
CID 114814696
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332
[4-[(2-methylpropylsulfamoylamino)methyl]phenyl]methanol
CID 107232078
4-ethyl-6-(2-methylpropylsulfamoylamino)hexanoic acid
CID 114814632
N-(2-methylpropylsulfamoyl)butan-2-amine
CID 114814896
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
5-(propylsulfamoylamino)pentan-2-ol
CID 106125663
4-(2,2,2-trifluoroethylsulfamoylamino)butan-1-ol
CID 106844053
N-(ethoxysulfamoyl)-2-methylpropan-1-amine
CID 114814909
3-methoxy-2-(2-methylpropylsulfamoylamino)propan-1-ol
CID 106184934
4-[(2-methylpropylsulfamoylamino)methyl]cyclohexan-1-ol
CID 114147014

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylsulfamoylamino)propan-1-ol?
The IUPAC name of 3-(2-methylpropylsulfamoylamino)propan-1-ol (CID 114815587) is 3-(2-methylpropylsulfamoylamino)propan-1-ol.
What is the SMILES notation for 3-(2-methylpropylsulfamoylamino)propan-1-ol?
The canonical SMILES for 3-(2-methylpropylsulfamoylamino)propan-1-ol is CC(C)CNS(=O)(=O)NCCCO.
What is the InChIKey of 3-(2-methylpropylsulfamoylamino)propan-1-ol?
The InChIKey is IBUSHRUDVQWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(2)6-9-13(11,12)8-4-3-5-10/h7-10H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropylsulfamoylamino)propan-1-ol?
3-(2-methylpropylsulfamoylamino)propan-1-ol has a molecular weight of 210.30 g/mol, XLogP of -0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylsulfamoylamino)propan-1-ol is sourced from PubChem (CID 114815587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).