N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine

C15H29NOS — CID 106496986

IUPACN-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1SCC1CCCO1
InChIInChI=1S/C15H29NOS/c1-2-16-14-9-5-3-4-6-10-15(14)18-12-13-8-7-11-17-13/h13-16H,2-12H2,1H3
InChIKeyIZQQJHIDKOTMOC-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.60
Rot. Bonds5

About N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine

N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine (PubChem CID 106496986) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
PubChem CID106496986
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine
SMILESCCNC1CCCCCCC1SCC1CCCO1
InChIInChI=1S/C15H29NOS/c1-2-16-14-9-5-3-4-6-10-15(14)18-12-13-8-7-11-17-13/h13-16H,2-12H2,1H3
InChIKeyIZQQJHIDKOTMOC-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(oxolan-2-ylmethylsulfanyl)oxan-4-amine
CID 106496921
N-ethyl-2-(2-methylpropylsulfanyl)cyclododecan-1-amine
CID 64611731
4,4-dimethyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496824
4-tert-butyl-2-(oxolan-2-ylmethylsulfanyl)-N-propylcyclohexan-1-amine
CID 106496874
2-methylsulfanyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 115708973
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
methyl 3-[2-(ethylamino)cyclooctyl]sulfanylpropanoate
CID 64614983
2-benzylsulfanyl-N-ethylcyclooctan-1-amine
CID 64620030
2-butan-2-ylsulfanyl-N-ethylcyclooctan-1-amine
CID 64613411
(2R)-2-(ethylsulfanylmethyl)oxane
CID 154221143
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine (CID 106496986) is N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine is CCNC1CCCCCCC1SCC1CCCO1.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine?
The InChIKey is IZQQJHIDKOTMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-2-16-14-9-5-3-4-6-10-15(14)18-12-13-8-7-11-17-13/h13-16H,2-12H2,1H3.
What are the key properties of N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine?
N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethylsulfanyl)cyclooctan-1-amine is sourced from PubChem (CID 106496986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).