sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate

C11H18NNaO4S — CID 175132943

IUPACsodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate
SMILESCc1cc(C)cc(NS(=O)(=O)OCC(C)O)c1.[H-].[Na+]
InChIInChI=1S/C11H17NO4S.Na.H/c1-8-4-9(2)6-11(5-8)12-17(14,15)16-7-10(3)13;;/h4-6,10,12-13H,7H2,1-3H3;;/q;+1;-1
InChIKeyVOSNNKWMSUOWAJ-UHFFFAOYSA-N
MW283.32 g/mol
LogP-1.53
Rot. Bonds5

About sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate

sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate (PubChem CID 175132943) has the molecular formula C11H18NNaO4S and a molecular weight of 283.32 g/mol. Its IUPAC name is sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate.

Molecular Properties

Compound Namesodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate
PubChem CID175132943
Molecular FormulaC11H18NNaO4S
Molecular Weight283.32 g/mol
Exact Mass283.09
IUPAC Namesodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate
SMILESCc1cc(C)cc(NS(=O)(=O)OCC(C)O)c1.[H-].[Na+]
InChIInChI=1S/C11H17NO4S.Na.H/c1-8-4-9(2)6-11(5-8)12-17(14,15)16-7-10(3)13;;/h4-6,10,12-13H,7H2,1-3H3;;/q;+1;-1
InChIKeyVOSNNKWMSUOWAJ-UHFFFAOYSA-N
XLogP-1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylanilino)propan-2-ol
CID 60886004
2-methylpropyl 3,5-dimethylbenzenesulfonate
CID 139720098
1-(2,6-dibromo-4-methylphenoxy)propan-2-ol
CID 129065841
3-[(3,5-dimethylphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 109062181
3-amino-N-(3,5-dimethylphenyl)butanamide
CID 60836814
(2S)-1-[[(1S)-1-(3,5-dimethylphenyl)ethyl]amino]propan-2-ol
CID 97357890
1-amino-N-(3-bromo-5-methylphenyl)propane-2-sulfonamide
CID 106089270
N-(4-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 106125984
(2S)-4-(3,5-dimethylanilino)-2-[[(2S)-2-hydroxypropyl]amino]-4-oxobutanoic acid
CID 7591647
sodium N-(3-methoxy-5-methylphenyl)sulfamate
CID 174221299
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
3-amino-N-[(2S)-2-hydroxypropyl]-5-methylbenzenesulfonamide
CID 93081254

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate?
The IUPAC name of sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate (CID 175132943) is sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate.
What is the SMILES notation for sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate?
The canonical SMILES for sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate is Cc1cc(C)cc(NS(=O)(=O)OCC(C)O)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate?
The InChIKey is VOSNNKWMSUOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S.Na.H/c1-8-4-9(2)6-11(5-8)12-17(14,15)16-7-10(3)13;;/h4-6,10,12-13H,7H2,1-3H3;;/q;+1;-1.
What are the key properties of sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate?
sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate has a molecular weight of 283.32 g/mol, XLogP of -1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-hydroxypropyl N-(3,5-dimethylphenyl)sulfamate is sourced from PubChem (CID 175132943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).