1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine

C9H13NS2 — CID 130877389

IUPAC1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine
SMILESCSc1ccc(CN2CCC2)s1
InChIInChI=1S/C9H13NS2/c1-11-9-4-3-8(12-9)7-10-5-2-6-10/h3-4H,2,5-7H2,1H3
InChIKeySKEKRLHEJVDGEO-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds3

About 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine

1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine (PubChem CID 130877389) has the molecular formula C9H13NS2 and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine.

Molecular Properties

Compound Name1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine
PubChem CID130877389
Molecular FormulaC9H13NS2
Molecular Weight199.34 g/mol
Exact Mass199.05
IUPAC Name1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine
SMILESCSc1ccc(CN2CCC2)s1
InChIInChI=1S/C9H13NS2/c1-11-9-4-3-8(12-9)7-10-5-2-6-10/h3-4H,2,5-7H2,1H3
InChIKeySKEKRLHEJVDGEO-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylimidazol-2-yl)methyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepane
CID 3865678
N-[4-[[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 3808146
N-(2-chlorophenyl)-2-[4-[(5-methylsulfanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 3868709
(2R)-1-[(5-methylsulfanylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
CID 100662036
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
1-[(5-prop-1-ynylthiophen-2-yl)methyl]pyrrolidine
CID 143305201
2-[(6-methyl-3-pyridinyl)oxymethyl]-4-[(5-methylsulfanylthiophen-2-yl)methyl]morpholine
CID 3742360
2-[4-[(5-methylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65062127
1-[(5-ethylthiophen-2-yl)methyl]-1,4-diazepane
CID 24704411
1-(2-chloroethyl)-4-[(5-chlorothiophen-2-yl)methyl]-1,4-diazepane
CID 63388084
N-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107555665
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
CID 46739745

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine?
The IUPAC name of 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine (CID 130877389) is 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine.
What is the SMILES notation for 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine?
The canonical SMILES for 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine is CSc1ccc(CN2CCC2)s1.
What is the InChIKey of 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine?
The InChIKey is SKEKRLHEJVDGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS2/c1-11-9-4-3-8(12-9)7-10-5-2-6-10/h3-4H,2,5-7H2,1H3.
What are the key properties of 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine?
1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylsulfanylthiophen-2-yl)methyl]azetidine is sourced from PubChem (CID 130877389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).