N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide

C10H18N2O4S — CID 54999137

IUPACN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H18N2O4S/c1-11-5-4-10(7-11)17(14,15)12(2)6-9(13)8-16-3/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyHYGQHNGDTCQJIF-UHFFFAOYSA-N
MW262.33 g/mol
LogP-0.35
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide

N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide (PubChem CID 54999137) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
PubChem CID54999137
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H18N2O4S/c1-11-5-4-10(7-11)17(14,15)12(2)6-9(13)8-16-3/h4-5,7,9,13H,6,8H2,1-3H3
InChIKeyHYGQHNGDTCQJIF-UHFFFAOYSA-N
XLogP-0.35
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54941944
N-(2-hydroxy-3-methoxypropyl)-3-methoxy-N-methylbenzenesulfonamide
CID 81258385
6-amino-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 62153514
4-bromo-3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 103880498
6-cyano-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 115875810
3-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-4-pyrazol-1-ylbenzenesulfonamide
CID 71907947
2,4-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 54999282
5-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999136
5,6-dichloro-N-(2-hydroxy-3-methoxypropyl)-N-methylpyridine-3-sulfonamide
CID 64608793
1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylimidazole-4-sulfonamide
CID 79373739
4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 43294368
5-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylthiophene-2-sulfonamide
CID 54999328

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide (CID 54999137) is N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide?
The InChIKey is HYGQHNGDTCQJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-11-5-4-10(7-11)17(14,15)12(2)6-9(13)8-16-3/h4-5,7,9,13H,6,8H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide?
N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of -0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,1-dimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 54999137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).