3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide

C9H22N2O3S — CID 111336402

IUPAC3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(C)CC(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-9(2,12)8-11(4)6-5-7-15(13,14)10-3/h10,12H,5-8H2,1-4H3
InChIKeyPUOHKHKJVOPOPC-UHFFFAOYSA-N
MW238.35 g/mol
LogP-0.37
Rot. Bonds7

About 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide

3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide (PubChem CID 111336402) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
PubChem CID111336402
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(C)CC(C)(C)O
InChIInChI=1S/C9H22N2O3S/c1-9(2,12)8-11(4)6-5-7-15(13,14)10-3/h10,12H,5-8H2,1-4H3
InChIKeyPUOHKHKJVOPOPC-UHFFFAOYSA-N
XLogP-0.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-ethylsulfonylpropyl(methyl)amino]-2-methylpropan-2-ol
CID 79006238
3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 23568037
N-[3-(hydroxy-methylidene-oxo-λ6-sulfanyl)propyl]-N,2,2-trimethylpropan-1-amine
CID 158256808
4,4,4-trifluoro-N-(2-hydroxy-2-methylpropyl)butane-1-sulfonamide
CID 83059566
1-[2-aminoethyl(methyl)amino]-2-methylpropan-2-ol
CID 54431132
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanal
CID 79390637
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]ethyl]acetamide
CID 79038056
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 111113309
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
1-[2-methoxyethyl(methyl)amino]-2-methylpropan-2-ol
CID 61427444
3-[(2-hydroxy-2-methylpropyl)-methylamino]propanimidamide
CID 79387020

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide (CID 111336402) is 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN(C)CC(C)(C)O.
What is the InChIKey of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide?
The InChIKey is PUOHKHKJVOPOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-9(2,12)8-11(4)6-5-7-15(13,14)10-3/h10,12H,5-8H2,1-4H3.
What are the key properties of 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide?
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide has a molecular weight of 238.35 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 111336402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).