(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone

C11H15NOS2 — CID 107023690

IUPAC(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(S)cs1
InChIInChI=1S/C11H15NOS2/c1-2-8-4-3-5-12(8)11(13)10-6-9(14)7-15-10/h6-8,14H,2-5H2,1H3
InChIKeyRSHBPETUFLXJRE-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.05
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone

(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone (PubChem CID 107023690) has the molecular formula C11H15NOS2 and a molecular weight of 241.38 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
PubChem CID107023690
Molecular FormulaC11H15NOS2
Molecular Weight241.38 g/mol
Exact Mass241.06
IUPAC Name(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(S)cs1
InChIInChI=1S/C11H15NOS2/c1-2-8-4-3-5-12(8)11(13)10-6-9(14)7-15-10/h6-8,14H,2-5H2,1H3
InChIKeyRSHBPETUFLXJRE-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-sulfanylthiophen-2-yl)methanone
CID 107033688
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-sulfanylthiophene-2-carboxamide
CID 107021324
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-methoxythiophen-2-yl)methanone
CID 81122202
3-[4-(2-ethylpyrrolidine-1-carbonyl)thiophen-2-yl]prop-2-enoic acid
CID 79684732
(4-ethylpiperazin-1-yl)-(4-sulfanylthiophen-2-yl)methanone
CID 107021585
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(3-bromothiophen-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 63086030
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-sulfanylthiophen-2-yl)methanone
CID 107034180
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone (CID 107023690) is (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone is CCC1CCCN1C(=O)c1cc(S)cs1.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
The InChIKey is RSHBPETUFLXJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS2/c1-2-8-4-3-5-12(8)11(13)10-6-9(14)7-15-10/h6-8,14H,2-5H2,1H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone?
(2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone has a molecular weight of 241.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(4-sulfanylthiophen-2-yl)methanone is sourced from PubChem (CID 107023690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).