N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

C10H20N2O4S — CID 114230556

IUPACN-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCCO)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-11(6-4-8-13)10(14)9-5-3-7-12(9)17(2,15)16/h9,13H,3-8H2,1-2H3
InChIKeyMKXMVCJPXXZIAR-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.75
Rot. Bonds5

About N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide

N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 114230556) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID114230556
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC NameN-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCN(CCCO)C(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C10H20N2O4S/c1-11(6-4-8-13)10(14)9-5-3-7-12(9)17(2,15)16/h9,13H,3-8H2,1-2H3
InChIKeyMKXMVCJPXXZIAR-UHFFFAOYSA-N
XLogP-0.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoic acid
CID 43360144
ethyl 2-[methyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 55003930
cyclopropylmethyl (2S)-2-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 168971647
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660
2-[ethyl-(1-methylsulfonylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62817339
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 56861416
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 62468441
3-[cyclopropyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 60845046
N-methyl-1-methylsulfonyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 70708816
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
(2R)-N-(2-adamantyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 97185532
N-hexyl-N,1-dimethylpyrrolidine-2-carboxamide
CID 22897375

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide (CID 114230556) is N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is CN(CCCO)C(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is MKXMVCJPXXZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-11(6-4-8-13)10(14)9-5-3-7-12(9)17(2,15)16/h9,13H,3-8H2,1-2H3.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 114230556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).