N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine

C15H25NOS — CID 107784224

IUPACN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-3-16-13-8-6-4-5-7-9-15(13)18-14-10-11-17-12(14)2/h10-11,13,15-16H,3-9H2,1-2H3
InChIKeyKDKVNDBQBOCNAH-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.38
Rot. Bonds4

About N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine

N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine (PubChem CID 107784224) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
PubChem CID107784224
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC NameN-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine
SMILESCCNC1CCCCCCC1Sc1ccoc1C
InChIInChI=1S/C15H25NOS/c1-3-16-13-8-6-4-5-7-9-15(13)18-14-10-11-17-12(14)2/h10-11,13,15-16H,3-9H2,1-2H3
InChIKeyKDKVNDBQBOCNAH-UHFFFAOYSA-N
XLogP4.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784168
N-ethyl-2-methyl-3-(2-methylfuran-3-yl)sulfanylcyclopentan-1-amine
CID 107784132
N-ethyl-4,4-dimethyl-2-(2-methylfuran-3-yl)sulfanylcyclohexan-1-amine
CID 107784243
2-(2-methylfuran-3-yl)sulfanylcycloheptan-1-ol
CID 107780916
2-(2,5-dimethylphenyl)sulfanyl-N-ethylcycloheptan-1-amine
CID 64649807
4-methyl-2-(2-methylfuran-3-yl)sulfanyl-N-propylcyclohexan-1-amine
CID 114001243
N-ethyl-2-(4-methylphenyl)sulfanylcyclohexan-1-amine
CID 64619864
trans-(1R,2R)-2-(2-methylfuran-3-yl)sulfanylcyclopentan-1-ol
CID 107780914
2-(3,4-dimethylphenyl)sulfanyl-N-ethylcyclooctan-1-amine
CID 64648566
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
CID 106927228
N-ethyl-2-(4-fluorophenyl)sulfanylcyclooctan-1-amine
CID 64620707
2-(2,4-difluorophenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64614748

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine (CID 107784224) is N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine is CCNC1CCCCCCC1Sc1ccoc1C.
What is the InChIKey of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine?
The InChIKey is KDKVNDBQBOCNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOS/c1-3-16-13-8-6-4-5-7-9-15(13)18-14-10-11-17-12(14)2/h10-11,13,15-16H,3-9H2,1-2H3.
What are the key properties of N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine?
N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylfuran-3-yl)sulfanylcyclooctan-1-amine is sourced from PubChem (CID 107784224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).