[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone

C10H11Cl2NOS — CID 80641541

IUPAC[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1sccc1Cl)N1CCC(CCl)C1
InChIInChI=1S/C10H11Cl2NOS/c11-5-7-1-3-13(6-7)10(14)9-8(12)2-4-15-9/h2,4,7H,1,3,5-6H2
InChIKeyUVJFZBWVQRLQRD-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.10
Rot. Bonds2

About [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone

[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone (PubChem CID 80641541) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
PubChem CID80641541
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1sccc1Cl)N1CCC(CCl)C1
InChIInChI=1S/C10H11Cl2NOS/c11-5-7-1-3-13(6-7)10(14)9-8(12)2-4-15-9/h2,4,7H,1,3,5-6H2
InChIKeyUVJFZBWVQRLQRD-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 115300132
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
(3-chlorothiophen-2-yl)-[(6R)-6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]methanone
CID 124749226
(3-bromothiophen-2-yl)-[3-(2-chloroethyl)pyrrolidin-1-yl]methanone
CID 114801052
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
(3-chloro-2-methylphenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 107100020
[3-(bromomethyl)pyrrolidin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 80667681
ethyl 1-(3-chlorothiophene-2-carbonyl)piperidine-3-carboxylate
CID 80642246
(4-bromophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396170

Frequently Asked Questions

What is the IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone (CID 80641541) is [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone is O=C(c1sccc1Cl)N1CCC(CCl)C1.
What is the InChIKey of [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
The InChIKey is UVJFZBWVQRLQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c11-5-7-1-3-13(6-7)10(14)9-8(12)2-4-15-9/h2,4,7H,1,3,5-6H2.
What are the key properties of [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone?
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone has a molecular weight of 264.18 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 80641541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).