1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine

C11H23NOS — CID 65164170

IUPAC1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCSCC(CCC1CCCO1)NC
InChIInChI=1S/C11H23NOS/c1-3-14-9-10(12-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyUSGOEPYIKMWNPC-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds7

About 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine

1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164170) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164170
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCSCC(CCC1CCCO1)NC
InChIInChI=1S/C11H23NOS/c1-3-14-9-10(12-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3
InChIKeyUSGOEPYIKMWNPC-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-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
[1-ethylsulfanyl-5-(oxolan-2-yl)pentan-2-yl]hydrazine
CID 105225409
1-cyclopropyl-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 104986559
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
1-(3-ethoxycyclobutyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 103168865
N-methyl-1-methylsulfonyl-5-(oxan-2-yl)pentan-3-amine
CID 115848636
N-methyl-1-(oxan-2-yl)oct-7-yn-3-amine
CID 105034116
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
N-methyl-1-(oxolan-2-yl)decan-2-amine
CID 62600553

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine (CID 65164170) is 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine is CCSCC(CCC1CCCO1)NC.
What is the InChIKey of 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is USGOEPYIKMWNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-14-9-10(12-2)6-7-11-5-4-8-13-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine?
1-ethylsulfanyl-N-methyl-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 1-ethylsulfanyl-N-methyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).