(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone

C9H10ClNOS — CID 130987576

IUPAC(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)c2ccsc2Cl)CNC1
InChIInChI=1S/C9H10ClNOS/c1-9(4-11-5-9)7(12)6-2-3-13-8(6)10/h2-3,11H,4-5H2,1H3
InChIKeyHASJYGUJALYUQJ-UHFFFAOYSA-N
MW215.70 g/mol
LogP2.19
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone

(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone (PubChem CID 130987576) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
PubChem CID130987576
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC Name(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
SMILESCC1(C(=O)c2ccsc2Cl)CNC1
InChIInChI=1S/C9H10ClNOS/c1-9(4-11-5-9)7(12)6-2-3-13-8(6)10/h2-3,11H,4-5H2,1H3
InChIKeyHASJYGUJALYUQJ-UHFFFAOYSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorothiophen-3-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 130646168
(2-chlorothiophen-3-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 130698397
(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
CID 162509745
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
CID 171677198
(2-chlorothiophen-3-yl)-(5-hydroxy-3,3-dimethylazepan-1-yl)methanone
CID 138035972
3-methyl-N-(3-methylazetidin-3-yl)thiophene-2-carboxamide
CID 130913749
(2-chlorothiophen-3-yl)-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 130640569
(2-chlorothiophen-3-yl)-(3-methylcyclopentyl)methanone
CID 130631626
N-(3-carbamoylthiophen-2-yl)-3-methylpiperidine-3-carboxamide
CID 63135299
1-benzothiophen-7-yl-(1-methylcyclopropyl)methanone
CID 81154198
2-chloro-N-[(2S)-2-hydroxypropoxy]thiophene-3-carboxamide
CID 134343363

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone?
The IUPAC name of (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone (CID 130987576) is (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone?
The canonical SMILES for (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone is CC1(C(=O)c2ccsc2Cl)CNC1.
What is the InChIKey of (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone?
The InChIKey is HASJYGUJALYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c1-9(4-11-5-9)7(12)6-2-3-13-8(6)10/h2-3,11H,4-5H2,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone?
(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone has a molecular weight of 215.70 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone is sourced from PubChem (CID 130987576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).