N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide

C12H24N2O4S — CID 103771592

IUPACN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeySXHOKZRUMSHODJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP-0.07
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide

N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 103771592) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID103771592
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O
InChIInChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16)
InChIKeySXHOKZRUMSHODJ-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
N-(3-methyl-2-morpholin-4-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55526700
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289
(2R)-1-methylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 124748947
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide (CID 103771592) is N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide is CC(C)CC(O)CNC(=O)C1CCCN1S(C)(=O)=O.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is SXHOKZRUMSHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-9(2)7-10(15)8-13-12(16)11-5-4-6-14(11)19(3,17)18/h9-11,15H,4-8H2,1-3H3,(H,13,16).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide?
N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 103771592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).