N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide

C7H18N2O3S — CID 82939293

IUPACN-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)CCO
InChIInChI=1S/C7H18N2O3S/c1-7(6-9(2)3)8-13(11,12)5-4-10/h7-8,10H,4-6H2,1-3H3
InChIKeyNWPVTVMDGAHLMK-UHFFFAOYSA-N
MW210.30 g/mol
LogP-1.15
Rot. Bonds6

About N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide

N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide (PubChem CID 82939293) has the molecular formula C7H18N2O3S and a molecular weight of 210.30 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
PubChem CID82939293
Molecular FormulaC7H18N2O3S
Molecular Weight210.30 g/mol
Exact Mass210.10
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide
SMILESCC(CN(C)C)NS(=O)(=O)CCO
InChIInChI=1S/C7H18N2O3S/c1-7(6-9(2)3)8-13(11,12)5-4-10/h7-8,10H,4-6H2,1-3H3
InChIKeyNWPVTVMDGAHLMK-UHFFFAOYSA-N
XLogP-1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-hydroxyethanesulfonamide
CID 79589473
4-amino-N-[1-(dimethylamino)propan-2-yl]butane-1-sulfonamide
CID 82945449
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
2-hydroxy-N-[(Z)-oct-5-en-2-yl]ethanesulfonamide
CID 102174654
2-hydroxy-N-(3-methylpentan-2-yl)ethanesulfonamide
CID 79589472
N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-[1-(dimethylamino)propan-2-yl]-1-(methylamino)propane-2-sulfonamide
CID 106074397
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
2-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)ethanesulfonamide
CID 79589560
2-hydroxy-N-(1-thiophen-2-ylpropan-2-yl)ethanesulfonamide
CID 79578342
N-(1-hydroxypropan-2-yl)butane-1-sulfonamide
CID 43502189
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide (CID 82939293) is N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide is CC(CN(C)C)NS(=O)(=O)CCO.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide?
The InChIKey is NWPVTVMDGAHLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3S/c1-7(6-9(2)3)8-13(11,12)5-4-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide?
N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide has a molecular weight of 210.30 g/mol, XLogP of -1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 82939293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).