4-(furan-2-ylmethylsulfanyl)azepane

C11H17NOS — CID 126974894

IUPAC4-(furan-2-ylmethylsulfanyl)azepane
SMILESc1coc(CSC2CCCNCC2)c1
InChIInChI=1S/C11H17NOS/c1-4-11(5-7-12-6-1)14-9-10-3-2-8-13-10/h2-3,8,11-12H,1,4-7,9H2
InChIKeyICSWKFSANAQZOB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.65
Rot. Bonds3

About 4-(furan-2-ylmethylsulfanyl)azepane

4-(furan-2-ylmethylsulfanyl)azepane (PubChem CID 126974894) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)azepane.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)azepane
PubChem CID126974894
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4-(furan-2-ylmethylsulfanyl)azepane
SMILESc1coc(CSC2CCCNCC2)c1
InChIInChI=1S/C11H17NOS/c1-4-11(5-7-12-6-1)14-9-10-3-2-8-13-10/h2-3,8,11-12H,1,4-7,9H2
InChIKeyICSWKFSANAQZOB-UHFFFAOYSA-N
XLogP2.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-ylmethyl)piperidine
CID 83480581
4-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine
CID 71778043
N-(furan-2-ylmethyl)-N-methylazepan-4-amine
CID 63902730
1-amino-3-(furan-2-ylmethylsulfanyl)cyclohexane-1-carboxamide
CID 79637513
N-(furan-2-ylmethyl)-N-methyl-1-piperidin-4-ylmethanamine
CID 16768453
3-(furan-2-ylmethoxymethyl)piperidine
CID 24692949
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712
4-(2-methylfuran-3-yl)sulfanylazepane
CID 126974899
6-(furan-2-ylmethylsulfanyl)-N,2,2-trimethylcyclohexan-1-amine
CID 79847075
4-(furan-2-ylmethylsulfanylmethyl)piperidin-4-ol
CID 81041028
4-[2-(azepan-4-ylsulfanyl)ethyl]phenol
CID 115070669
2-(furan-2-yl)-N-piperidin-4-ylacetamide
CID 110484596

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)azepane?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)azepane (CID 126974894) is 4-(furan-2-ylmethylsulfanyl)azepane.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)azepane?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)azepane is c1coc(CSC2CCCNCC2)c1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)azepane?
The InChIKey is ICSWKFSANAQZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-4-11(5-7-12-6-1)14-9-10-3-2-8-13-10/h2-3,8,11-12H,1,4-7,9H2.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)azepane?
4-(furan-2-ylmethylsulfanyl)azepane has a molecular weight of 211.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)azepane is sourced from PubChem (CID 126974894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).