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

C10H13ClN2OS — CID 115300132

IUPAC(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2sccc2Cl)C1
InChIInChI=1S/C10H13ClN2OS/c1-12-7-2-4-13(6-7)10(14)9-8(11)3-5-15-9/h3,5,7,12H,2,4,6H2,1H3
InChIKeyQDTUSBUDDCDEOX-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.84
Rot. Bonds2

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

(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 115300132) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID115300132
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2sccc2Cl)C1
InChIInChI=1S/C10H13ClN2OS/c1-12-7-2-4-13(6-7)10(14)9-8(11)3-5-15-9/h3,5,7,12H,2,4,6H2,1H3
InChIKeyQDTUSBUDDCDEOX-UHFFFAOYSA-N
XLogP1.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropyrrolidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 80641309
(4-chloro-3-methylpiperidin-1-yl)-(3-chlorothiophen-2-yl)methanone
CID 114683220
[3-(chloromethyl)pyrrolidin-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80641541
(3-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671123
[3-(methylamino)pyrrolidin-1-yl]-thiophen-2-ylmethanone;hydrochloride
CID 119413673
(3-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119562122
(3-chloro-4-iodophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 103805114
(3-chlorothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 80640844
[3-(methylamino)piperidin-1-yl]-(3-methylsulfanylthiophen-2-yl)methanone;hydrochloride
CID 119488013
(2,5-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413676
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
[3-(methylamino)piperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone;hydrochloride
CID 119488448

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone (CID 115300132) is (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is CNC1CCN(C(=O)c2sccc2Cl)C1.
What is the InChIKey of (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is QDTUSBUDDCDEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-12-7-2-4-13(6-7)10(14)9-8(11)3-5-15-9/h3,5,7,12H,2,4,6H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone?
(3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 244.75 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-[3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115300132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).