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

C10H21NOS — CID 65164168

IUPAC1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCSCC(N)CCC1CCCO1
InChIInChI=1S/C10H21NOS/c1-2-13-8-9(11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3
InChIKeyGAUZMALJFKUXHF-UHFFFAOYSA-N
MW203.35 g/mol
LogP2.03
Rot. Bonds6

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

1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine (PubChem CID 65164168) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine
PubChem CID65164168
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine
SMILESCCSCC(N)CCC1CCCO1
InChIInChI=1S/C10H21NOS/c1-2-13-8-9(11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3
InChIKeyGAUZMALJFKUXHF-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine (CID 65164168) is 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine is CCSCC(N)CCC1CCCO1.
What is the InChIKey of 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is GAUZMALJFKUXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-13-8-9(11)5-6-10-4-3-7-12-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine?
1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 65164168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).