N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide

C9H21NO6S — CID 123529529

IUPACN-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide
SMILESCCOC(CNS(C)(=O)=O)COCC(O)CO
InChIInChI=1S/C9H21NO6S/c1-3-16-9(4-10-17(2,13)14)7-15-6-8(12)5-11/h8-12H,3-7H2,1-2H3
InChIKeySSTSFCJZUCOCOB-UHFFFAOYSA-N
MW271.33 g/mol
LogP-1.69
Rot. Bonds10

About N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide

N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide (PubChem CID 123529529) has the molecular formula C9H21NO6S and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide
PubChem CID123529529
Molecular FormulaC9H21NO6S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC NameN-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide
SMILESCCOC(CNS(C)(=O)=O)COCC(O)CO
InChIInChI=1S/C9H21NO6S/c1-3-16-9(4-10-17(2,13)14)7-15-6-8(12)5-11/h8-12H,3-7H2,1-2H3
InChIKeySSTSFCJZUCOCOB-UHFFFAOYSA-N
XLogP-1.69
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydroxypropyl)methanesulfonamide
CID 58858827
N-[2-(2-propan-2-yloxyethoxy)ethyl]methanesulfonamide
CID 88915709
N-(3-pentan-3-yloxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991593
N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide
CID 88991620
N-[3-(2,3-dihydroxypropoxy)-2-(3,3-dimethylbutan-2-yloxy)propyl]methanesulfonamide
CID 88991648
N-[3-(2,3-dihydroxypropoxy)-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991651
N-[3-(4-hydroxy-2-methylbutan-2-yl)oxy-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991703
N-[(2S)-3-[(2R)-2,3-dihydroxypropoxy]-2-propan-2-yloxypropyl]-N-methylmethanesulfonamide
CID 118241650
N-[(2R)-4-hydroxy-2-propan-2-yloxybutyl]methanesulfonamide
CID 121481112
N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
CID 121481169
2-(2-ethoxyethoxy)ethanol;N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]methanesulfonamide
CID 142114963
N-[2-(2-hydroxyethoxy)ethyl]methanesulfonamide;methane
CID 160841846

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide?
The IUPAC name of N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide (CID 123529529) is N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide.
What is the SMILES notation for N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide?
The canonical SMILES for N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide is CCOC(CNS(C)(=O)=O)COCC(O)CO.
What is the InChIKey of N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide?
The InChIKey is SSTSFCJZUCOCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO6S/c1-3-16-9(4-10-17(2,13)14)7-15-6-8(12)5-11/h8-12H,3-7H2,1-2H3.
What are the key properties of N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide?
N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide has a molecular weight of 271.33 g/mol, XLogP of -1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroxypropoxy)-2-ethoxypropyl]methanesulfonamide is sourced from PubChem (CID 123529529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).