3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide

C12H22N2OS — CID 80584709

IUPAC3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2CCCS2)CCNC1
InChIInChI=1S/C12H22N2OS/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyKNSSEJFXLXEVRX-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.39
Rot. Bonds4

About 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide

3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 80584709) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID80584709
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCC2CCCS2)CCNC1
InChIInChI=1S/C12H22N2OS/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyKNSSEJFXLXEVRX-UHFFFAOYSA-N
XLogP1.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(2-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxamide
CID 64913056
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
3-ethyl-N-(oxan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63142330
2-ethyl-N-(thian-2-ylmethyl)pyrrolidine-2-carboxamide
CID 83072987
N-cyclopropyl-3-ethylpyrrolidine-3-carboxamide
CID 63141088
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
4-ethyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 80586532
3-ethyl-N-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-3-carboxamide
CID 63142216
3-ethyl-N-(2-ethylsulfinylethyl)pyrrolidine-3-carboxamide
CID 115750111
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-(2,2-dimethylbutyl)-3-ethylpyrrolidine-3-carboxamide
CID 103461536

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide (CID 80584709) is 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide is CCC1(C(=O)NCC2CCCS2)CCNC1.
What is the InChIKey of 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is KNSSEJFXLXEVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-12(5-6-13-9-12)11(15)14-8-10-4-3-7-16-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide?
3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 242.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(thiolan-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 80584709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).