[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone

C11H14ClNOS — CID 102786621

IUPAC[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)C1CCl
InChIInChI=1S/C11H14ClNOS/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyVYQFFAJUOHLZHK-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.84
Rot. Bonds2

About [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 102786621) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
PubChem CID102786621
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone
SMILESCC1CCN(C(=O)c2cccs2)C1CCl
InChIInChI=1S/C11H14ClNOS/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3
InChIKeyVYQFFAJUOHLZHK-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-phenylmethanone
CID 102786620
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 102787075
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 102787424
[(2S,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 97384245
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618
N-[2-chloro-5-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 99786614
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 102787415
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
1-benzofuran-2-yl-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102787419
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2896965
(2-methylpiperidin-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 17224089

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone (CID 102786621) is [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone is CC1CCN(C(=O)c2cccs2)C1CCl.
What is the InChIKey of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is VYQFFAJUOHLZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c1-8-4-5-13(9(8)7-12)11(14)10-3-2-6-15-10/h2-3,6,8-9H,4-5,7H2,1H3.
What are the key properties of [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone?
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 243.76 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-methylpyrrolidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 102786621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).