N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide

C10H22N2O5S2 — CID 106144171

IUPACN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O5S2/c1-10(13,8-12(2)3)7-11-19(16,17)9-4-5-18(14,15)6-9/h9,11,13H,4-8H2,1-3H3
InChIKeyOYXFGHJDKIEURH-UHFFFAOYSA-N
MW314.43 g/mol
LogP-1.59
Rot. Bonds6

About N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide (PubChem CID 106144171) has the molecular formula C10H22N2O5S2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide
PubChem CID106144171
Molecular FormulaC10H22N2O5S2
Molecular Weight314.43 g/mol
Exact Mass314.10
IUPAC NameN-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide
SMILESCN(C)CC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O5S2/c1-10(13,8-12(2)3)7-11-19(16,17)9-4-5-18(14,15)6-9/h9,11,13H,4-8H2,1-3H3
InChIKeyOYXFGHJDKIEURH-UHFFFAOYSA-N
XLogP-1.59
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-1.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173824
N-(2-hydroxy-2-methylbutyl)-1,1-dioxothiane-4-sulfonamide
CID 65113264
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
methyl 2-[(1,1-dioxothiolan-3-yl)sulfonylamino]acetate
CID 43624219
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394
N-[2-(2-hydroxypropylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 113430482
N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
N-(3-methoxypropyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827633
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 64913898

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide (CID 106144171) is N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide is CN(C)CC(C)(O)CNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is OYXFGHJDKIEURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O5S2/c1-10(13,8-12(2)3)7-11-19(16,17)9-4-5-18(14,15)6-9/h9,11,13H,4-8H2,1-3H3.
What are the key properties of N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide?
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 314.43 g/mol, XLogP of -1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 106144171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).