N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

C14H26N2O4S — CID 129491191

IUPACN-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C14H26N2O4S/c1-15(21(2,19)20)10-14(18)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h11-13,17H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyAUBASOQJKKKCDD-YNEHKIRRSA-N
MW318.44 g/mol
LogP0.42
Rot. Bonds4

About N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide

N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (PubChem CID 129491191) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
PubChem CID129491191
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC NameN-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
SMILESCN(CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)S(C)(=O)=O
InChIInChI=1S/C14H26N2O4S/c1-15(21(2,19)20)10-14(18)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h11-13,17H,3-10H2,1-2H3/t11-,12+,13+/m0/s1
InChIKeyAUBASOQJKKKCDD-YNEHKIRRSA-N
XLogP0.42
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

N-[2-[4-(2-hydroxycyclopentyl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 71878440
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356149
4-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2,2-dimethyl-4-oxobutanenitrile
CID 129491820
1-[2-(2-hydroxycyclohexyl)piperidin-1-yl]butan-1-one
CID 79553643
N-methyl-N-[2-oxo-2-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]ethyl]methanesulfonamide
CID 94097785
1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]octan-1-one
CID 79539770
N-methyl-N-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 119650584
3-ethoxy-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546527
1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 79544455
1-[2-(2-hydroxycyclopentyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 79545002
2-ethoxy-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]ethanone
CID 79544158

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide (CID 129491191) is N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is CN(CC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O)S(C)(=O)=O.
What is the InChIKey of N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
The InChIKey is AUBASOQJKKKCDD-YNEHKIRRSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-15(21(2,19)20)10-14(18)16-9-5-7-12(16)11-6-3-4-8-13(11)17/h11-13,17H,3-10H2,1-2H3/t11-,12+,13+/m0/s1.
What are the key properties of N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide?
N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 129491191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).