N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine

C11H23NOS — CID 65164506

IUPACN-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSC
InChIInChI=1S/C11H23NOS/c1-3-12-10(9-14-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyOTNGCUVAUZBEFR-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds7

About N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine

N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164506) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164506
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCNC(CCC1CCCO1)CSC
InChIInChI=1S/C11H23NOS/c1-3-12-10(9-14-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyOTNGCUVAUZBEFR-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-1-(3-methylphenyl)sulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 66087004
1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164170
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
1-(2,6-dimethylphenyl)-N-ethyl-4-(oxolan-2-yl)butan-2-amine
CID 105024443
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine (CID 65164506) is N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine is CCNC(CCC1CCCO1)CSC.
What is the InChIKey of N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is OTNGCUVAUZBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-12-10(9-14-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).