N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

C12H23N3O3S — CID 133111572

IUPACN-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)[C@@H]1CN(C(=O)CNS(C)(=O)=O)C[C@H]1C1CC1
InChIInChI=1S/C12H23N3O3S/c1-14(2)11-8-15(7-10(11)9-4-5-9)12(16)6-13-19(3,17)18/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyQWPCFYRGAAACLK-WDEREUQCSA-N
MW289.40 g/mol
LogP-0.67
Rot. Bonds5

About N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide

N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (PubChem CID 133111572) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
PubChem CID133111572
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC NameN-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
SMILESCN(C)[C@@H]1CN(C(=O)CNS(C)(=O)=O)C[C@H]1C1CC1
InChIInChI=1S/C12H23N3O3S/c1-14(2)11-8-15(7-10(11)9-4-5-9)12(16)6-13-19(3,17)18/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1
InChIKeyQWPCFYRGAAACLK-WDEREUQCSA-N
XLogP-0.67
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 156603950
(3R,4R)-4-cyclopropyl-1-[2-[methyl(methylsulfonyl)amino]acetyl]pyrrolidine-3-carboxylic acid
CID 120978126
N-[2-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95829909
N-[2-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 124980188
(6S)-1-acetyl-4-[2-(methanesulfonamido)acetyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 124981885
N-[2-(2-cyanoaziridin-1-yl)-2-oxoethyl]methanesulfonamide
CID 23461544
N-[2-[(3R)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 97142329
1-[2-(dimethylsulfamoylamino)acetyl]-4-methylpiperidine
CID 112991016
N-[2-oxo-2-[(1R,2S,6R,9R)-6-phenyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]ethyl]methanesulfonamide
CID 166614218
1-[2-(sulfamoylamino)acetyl]azetidine-3-carboxamide
CID 151708967
N-[(1R,5R,6S,7R)-7-(dimethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(methanesulfonamido)acetamide
CID 91797963
N-[(3R,4S)-1-[2-(methanesulfonamido)acetyl]-4-phenylpyrrolidin-3-yl]acetamide
CID 72917936

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide (CID 133111572) is N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is CN(C)[C@@H]1CN(C(=O)CNS(C)(=O)=O)C[C@H]1C1CC1.
What is the InChIKey of N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
The InChIKey is QWPCFYRGAAACLK-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-14(2)11-8-15(7-10(11)9-4-5-9)12(16)6-13-19(3,17)18/h9-11,13H,4-8H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide?
N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide has a molecular weight of 289.40 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4S)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-2-oxoethyl]methanesulfonamide is sourced from PubChem (CID 133111572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).