(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

C12H18N2O4S — CID 39855262

IUPAC(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C12H18N2O4S/c1-9-5-6-10(18-9)8-13-12(15)11-4-3-7-14(11)19(2,16)17/h5-6,11H,3-4,7-8H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyGEHRFNOXMUXDEA-NSHDSACASA-N
MW286.35 g/mol
LogP0.63
Rot. Bonds4

About (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide

(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (PubChem CID 39855262) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
PubChem CID39855262
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)o1
InChIInChI=1S/C12H18N2O4S/c1-9-5-6-10(18-9)8-13-12(15)11-4-3-7-14(11)19(2,16)17/h5-6,11H,3-4,7-8H2,1-2H3,(H,13,15)/t11-/m0/s1
InChIKeyGEHRFNOXMUXDEA-NSHDSACASA-N
XLogP0.63
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-2-carboxamide
CID 91151565
2-methyl-5-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 119226417
5-[[[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 129465976
(2S)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95375103
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 63311449
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39892035
1-[1-(2-methoxyethyl)benzotriazol-5-yl]sulfonyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
CID 46330231
N-[(5-methylfuran-2-yl)methyl]-1-(1-methylsulfonylpiperidin-3-yl)methanamine
CID 79610199
1-methylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-2-carboxamide
CID 134039566
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide (CID 39855262) is (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is Cc1ccc(CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)o1.
What is the InChIKey of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is GEHRFNOXMUXDEA-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-9-5-6-10(18-9)8-13-12(15)11-4-3-7-14(11)19(2,16)17/h5-6,11H,3-4,7-8H2,1-2H3,(H,13,15)/t11-/m0/s1.
What are the key properties of (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide?
(2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 286.35 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methylfuran-2-yl)methyl]-1-methylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 39855262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).