N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide

C7H17NO3S — CID 90912057

IUPACN-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
SMILESCCC(O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17NO3S/c1-5-6(9)8-12(10,11)7(2,3)4/h6,8-9H,5H2,1-4H3
InChIKeyBMHBETVOXADBOM-UHFFFAOYSA-N
MW195.28 g/mol
LogP0.43
Rot. Bonds3

About N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide

N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide (PubChem CID 90912057) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
PubChem CID90912057
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide
SMILESCCC(O)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C7H17NO3S/c1-5-6(9)8-12(10,11)7(2,3)4/h6,8-9H,5H2,1-4H3
InChIKeyBMHBETVOXADBOM-UHFFFAOYSA-N
XLogP0.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide 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-N-[(2S)-4-methylpentan-2-yl]propane-2-sulfonamide
CID 153298408
2-methyl-N-[(2R)-3-methylbutan-2-yl]propane-2-sulfonamide
CID 166766896
N-(2,3-dihydroxypropyl)-2-methylpropane-2-sulfonamide
CID 66177542
N-(1-cyanopropan-2-yl)-2-methylpropane-2-sulfonamide
CID 63687492
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
N-(4-hydroxypentyl)-2-methylpropane-2-sulfonamide
CID 106125748
2-(tert-butylsulfonylamino)-2-cyclohexylacetic acid
CID 63688223
N-[1-hydroxy-3-(trimethylsilylmethyl)but-3-en-2-yl]-2-methylpropane-2-sulfonamide
CID 134998261
2-(1-hydroxypropylamino)-2-methylpropane-1,3-diol
CID 87771236
bis[(2S)-2-(tert-butylsulfonylamino)-3-methylbutyl] (E)-but-2-enedioate
CID 126492726
2-methyl-N-(1-piperidin-4-ylethyl)propane-2-sulfonamide
CID 63688048
(2S)-2-(tert-butylsulfonylamino)-3-(3,4-dihydroxyphenyl)propanoic acid
CID 63689156

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide (CID 90912057) is N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide is CCC(O)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide?
The InChIKey is BMHBETVOXADBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-5-6(9)8-12(10,11)7(2,3)4/h6,8-9H,5H2,1-4H3.
What are the key properties of N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide?
N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide has a molecular weight of 195.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 90912057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).