N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide

C12H17N3O4S2 — CID 7286403

IUPACN-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H17N3O4S2/c1-13-11(16)12(17)14-8-9-4-2-6-15(9)21(18,19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyAHMUYFJSTWQNIW-VIFPVBQESA-N
MW331.42 g/mol
LogP-0.24
Rot. Bonds4

About N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide

N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 7286403) has the molecular formula C12H17N3O4S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
PubChem CID7286403
Molecular FormulaC12H17N3O4S2
Molecular Weight331.42 g/mol
Exact Mass331.07
IUPAC NameN-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
SMILESCNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C12H17N3O4S2/c1-13-11(16)12(17)14-8-9-4-2-6-15(9)21(18,19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1
InChIKeyAHMUYFJSTWQNIW-VIFPVBQESA-N
XLogP-0.24
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-phenyl-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286397
N'-(2,2-dimethoxyethyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222980
N'-(2,5-dimethylphenyl)-N-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286437
N'-(2-cyanophenyl)-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222958
(1-thiophen-2-ylsulfonylpyrrolidin-2-yl)methanol
CID 61408705
4-fluoro-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286373
3,4-dimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286421
3,4,5-trimethoxy-N-[[(2R)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]benzamide
CID 41222933
N'-(2-chlorophenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195896
N'-(3,5-dimethylphenyl)-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195670
N'-(pyridin-4-ylmethyl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]oxamide
CID 18574464
N'-(2,5-dimethylphenyl)-N-[2-[(2S)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]oxamide
CID 41195919

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide (CID 7286403) is N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide is CNC(=O)C(=O)NC[C@@H]1CCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is AHMUYFJSTWQNIW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17N3O4S2/c1-13-11(16)12(17)14-8-9-4-2-6-15(9)21(18,19)10-5-3-7-20-10/h3,5,7,9H,2,4,6,8H2,1H3,(H,13,16)(H,14,17)/t9-/m0/s1.
What are the key properties of N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide?
N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 331.42 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[[(2S)-1-thiophen-2-ylsulfonylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 7286403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).