N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide

C15H25N3O3S — CID 95903641

IUPACN,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C15H25N3O3S/c1-4-17(5-2)22(20,21)12-15(19)18-11-7-9-14(18)13-8-6-10-16(13)3/h6,8,10,14H,4-5,7,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyCUWNLYVFEAZGEH-CQSZACIVSA-N
MW327.45 g/mol
LogP1.36
Rot. Bonds6

About N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide

N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide (PubChem CID 95903641) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
PubChem CID95903641
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C15H25N3O3S/c1-4-17(5-2)22(20,21)12-15(19)18-11-7-9-14(18)13-8-6-10-16(13)3/h6,8,10,14H,4-5,7,9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyCUWNLYVFEAZGEH-CQSZACIVSA-N
XLogP1.36
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-4-methylsulfonylbutan-1-one
CID 97219859
cyclopropyl-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 94819352
4-chloro-N-methyl-N-[2-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzenesulfonamide
CID 32766153
3-[2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 132970037
[(4S)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 124606874
N-benzyl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 24664542
1-[2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 71983259
(2Z,4E)-1-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]hexa-2,4-dien-1-one
CID 129424037
1-methyl-3-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 24653759
1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95132774
(E)-2-(4-methylphenyl)-N-[2-[2-(1-methylpyrrol-2-yl)azepan-1-yl]-2-oxoethyl]ethenesulfonamide
CID 24685014
2-(6-methyl-3-pyridinyl)-1-[(2S)-2-(1-methylpyrrol-2-yl)azepan-1-yl]ethanone
CID 95371203

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide?
The IUPAC name of N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide (CID 95903641) is N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide.
What is the SMILES notation for N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide?
The canonical SMILES for N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide is CCN(CC)S(=O)(=O)CC(=O)N1CCC[C@@H]1c1cccn1C.
What is the InChIKey of N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide?
The InChIKey is CUWNLYVFEAZGEH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-4-17(5-2)22(20,21)12-15(19)18-11-7-9-14(18)13-8-6-10-16(13)3/h6,8,10,14H,4-5,7,9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide?
N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide has a molecular weight of 327.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-2-oxoethanesulfonamide is sourced from PubChem (CID 95903641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).