4-(2-methylfuran-3-yl)sulfanylazepane

C11H17NOS — CID 126974899

IUPAC4-(2-methylfuran-3-yl)sulfanylazepane
SMILESCc1occc1SC1CCCNCC1
InChIInChI=1S/C11H17NOS/c1-9-11(5-8-13-9)14-10-3-2-6-12-7-4-10/h5,8,10,12H,2-4,6-7H2,1H3
InChIKeySDGUIWUPGHIJNC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.82
Rot. Bonds2

About 4-(2-methylfuran-3-yl)sulfanylazepane

4-(2-methylfuran-3-yl)sulfanylazepane (PubChem CID 126974899) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(2-methylfuran-3-yl)sulfanylazepane.

Molecular Properties

Compound Name4-(2-methylfuran-3-yl)sulfanylazepane
PubChem CID126974899
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(2-methylfuran-3-yl)sulfanylazepane
SMILESCc1occc1SC1CCCNCC1
InChIInChI=1S/C11H17NOS/c1-9-11(5-8-13-9)14-10-3-2-6-12-7-4-10/h5,8,10,12H,2-4,6-7H2,1H3
InChIKeySDGUIWUPGHIJNC-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-4-ylsulfanyl)-4-methyl-1,3-oxazole
CID 130490292
3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-one
CID 107781219
trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
CID 107780914
3-(2-methylfuran-3-yl)sulfanylazepan-2-one
CID 86799316
(2R)-2-[(2-methylfuran-3-yl)sulfanylmethyl]pyrrolidine
CID 107781606
2-(2-methylfuran-3-yl)sulfanylcycloheptan-1-ol
CID 107780916
1-amino-3-(2-methylfuran-3-yl)sulfanylcyclohexane-1-carboxylic acid
CID 107782067
2-[(2-methylfuran-3-yl)sulfanylmethyl]piperidine
CID 107781623
4-(furan-2-ylmethylsulfanyl)azepane
CID 126974894
2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784188
2-methyl-3-[(2-methylfuran-3-yl)disulfanyl]furan
CID 526624
3-(2-methylfuran-3-yl)sulfanyl-1-(propylamino)cyclohexane-1-carbonitrile
CID 107781749

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylfuran-3-yl)sulfanylazepane?
The IUPAC name of 4-(2-methylfuran-3-yl)sulfanylazepane (CID 126974899) is 4-(2-methylfuran-3-yl)sulfanylazepane.
What is the SMILES notation for 4-(2-methylfuran-3-yl)sulfanylazepane?
The canonical SMILES for 4-(2-methylfuran-3-yl)sulfanylazepane is Cc1occc1SC1CCCNCC1.
What is the InChIKey of 4-(2-methylfuran-3-yl)sulfanylazepane?
The InChIKey is SDGUIWUPGHIJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9-11(5-8-13-9)14-10-3-2-6-12-7-4-10/h5,8,10,12H,2-4,6-7H2,1H3.
What are the key properties of 4-(2-methylfuran-3-yl)sulfanylazepane?
4-(2-methylfuran-3-yl)sulfanylazepane has a molecular weight of 211.33 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylfuran-3-yl)sulfanylazepane is sourced from PubChem (CID 126974899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).