(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

C11H16N2OS2 — CID 100662036

IUPAC(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1ccc(CN2CCC[C@@H]2C(N)=O)s1
InChIInChI=1S/C11H16N2OS2/c1-15-10-5-4-8(16-10)7-13-6-2-3-9(13)11(12)14/h4-5,9H,2-3,6-7H2,1H3,(H2,12,14)/t9-/m1/s1
InChIKeyNMJDQJOTIKAIOJ-SECBINFHSA-N
MW256.40 g/mol
LogP1.92
Rot. Bonds4

About (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 100662036) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID100662036
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCSc1ccc(CN2CCC[C@@H]2C(N)=O)s1
InChIInChI=1S/C11H16N2OS2/c1-15-10-5-4-8(16-10)7-13-6-2-3-9(13)11(12)14/h4-5,9H,2-3,6-7H2,1H3,(H2,12,14)/t9-/m1/s1
InChIKeyNMJDQJOTIKAIOJ-SECBINFHSA-N
XLogP1.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine
CID 130877389
1-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47424733
methyl 1-[(5-chlorothiophen-2-yl)methyl]pyrrolidine-2-carboxylate
CID 55134425
3-methyl-7-[(5-methylsulfanylthiophen-2-yl)methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
CID 122046536
1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperidine-2-carboxamide
CID 60680989
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177242
(2S)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70742179
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (CID 100662036) is (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is CSc1ccc(CN2CCC[C@@H]2C(N)=O)s1.
What is the InChIKey of (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is NMJDQJOTIKAIOJ-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-15-10-5-4-8(16-10)7-13-6-2-3-9(13)11(12)14/h4-5,9H,2-3,6-7H2,1H3,(H2,12,14)/t9-/m1/s1.
What are the key properties of (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 256.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 100662036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).