3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine

C9H12BrNOS2 — CID 81198066

IUPAC3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Br)s1)CC1CNC1
InChIInChI=1S/C9H12BrNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2
InChIKeyCOPJYMPLVXVTLS-UHFFFAOYSA-N
MW294.24 g/mol
LogP1.98
Rot. Bonds4

About 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine

3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine (PubChem CID 81198066) has the molecular formula C9H12BrNOS2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
PubChem CID81198066
Molecular FormulaC9H12BrNOS2
Molecular Weight294.24 g/mol
Exact Mass292.95
IUPAC Name3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine
SMILESO=S(Cc1ccc(Br)s1)CC1CNC1
InChIInChI=1S/C9H12BrNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2
InChIKeyCOPJYMPLVXVTLS-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-2-yl)methanesulfinate
CID 175264944
2-(azetidin-3-yl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 116680120
3-[(2,4-dichlorophenyl)methylsulfinylmethyl]azetidine
CID 81196456
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(5-bromothiophen-2-yl)methyl]-N-methylazetidine-3-carboxamide
CID 115158927
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
2-chloro-5-[[(R)-[(3R)-piperidin-3-yl]methylsulfinyl]methyl]-1,3-thiazole
CID 97163906
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
1-(5-bromothiophen-2-yl)-4-piperidin-3-ylbutan-2-one
CID 116562155
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
2-(azetidin-3-ylmethylsulfinylmethyl)-4-fluorobenzonitrile
CID 114014880

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine (CID 81198066) is 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine is O=S(Cc1ccc(Br)s1)CC1CNC1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine?
The InChIKey is COPJYMPLVXVTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS2/c10-9-2-1-8(13-9)6-14(12)5-7-3-11-4-7/h1-2,7,11H,3-6H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine?
3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine has a molecular weight of 294.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methylsulfinylmethyl]azetidine is sourced from PubChem (CID 81198066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).