N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide

C14H26N2O7S — CID 74735101

IUPACN-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide
SMILESCOCC1CCCN1C(=O)CC1OC(CNS(C)(=O)=O)C(O)C1O
InChIInChI=1S/C14H26N2O7S/c1-22-8-9-4-3-5-16(9)12(17)6-10-13(18)14(19)11(23-10)7-15-24(2,20)21/h9-11,13-15,18-19H,3-8H2,1-2H3
InChIKeyVCVHWVRZTSRGFG-UHFFFAOYSA-N
MW366.44 g/mol
LogP-1.95
Rot. Bonds7

About N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide

N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide (PubChem CID 74735101) has the molecular formula C14H26N2O7S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide
PubChem CID74735101
Molecular FormulaC14H26N2O7S
Molecular Weight366.44 g/mol
Exact Mass366.15
IUPAC NameN-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide
SMILESCOCC1CCCN1C(=O)CC1OC(CNS(C)(=O)=O)C(O)C1O
InChIInChI=1S/C14H26N2O7S/c1-22-8-9-4-3-5-16(9)12(17)6-10-13(18)14(19)11(23-10)7-15-24(2,20)21/h9-11,13-15,18-19H,3-8H2,1-2H3
InChIKeyVCVHWVRZTSRGFG-UHFFFAOYSA-N
XLogP-1.95
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

1-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]-3-phenylurea
CID 74735106
N-cyclopropyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(methanesulfonamidomethyl)oxolan-2-yl]acetamide
CID 25390436
N-[[3,4-dihydroxy-5-[2-oxo-2-(4-piperidin-1-ium-2-ylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]methanesulfonamide
CID 163132593
1-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-3-(methylamino)propan-1-one
CID 70853461
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 71355613
methyl N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 70317930
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
1-[2-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 83624640
ethane;1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 143652915
CID 166480351
CID 166480351
2-[2-[2-(methanesulfonamidomethyl)piperidin-1-yl]-2-oxoethoxy]acetic acid
CID 61329043

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide (CID 74735101) is N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide is COCC1CCCN1C(=O)CC1OC(CNS(C)(=O)=O)C(O)C1O.
What is the InChIKey of N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide?
The InChIKey is VCVHWVRZTSRGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O7S/c1-22-8-9-4-3-5-16(9)12(17)6-10-13(18)14(19)11(23-10)7-15-24(2,20)21/h9-11,13-15,18-19H,3-8H2,1-2H3.
What are the key properties of N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide?
N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide has a molecular weight of 366.44 g/mol, XLogP of -1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-5-[2-[2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]oxolan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 74735101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).