1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine

C10H21NOS — CID 65127948

IUPAC1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCCSCC(N)CC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-10(11)7-9-3-5-12-6-4-9/h9-10H,2-8,11H2,1H3
InChIKeyNQZLABQUOAIVLZ-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.88
Rot. Bonds5

About 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine

1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine (PubChem CID 65127948) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine
PubChem CID65127948
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine
SMILESCCSCC(N)CC1CCOCC1
InChIInChI=1S/C10H21NOS/c1-2-13-8-10(11)7-9-3-5-12-6-4-9/h9-10H,2-8,11H2,1H3
InChIKeyNQZLABQUOAIVLZ-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The IUPAC name of 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine (CID 65127948) is 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine.
What is the SMILES notation for 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The canonical SMILES for 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine is CCSCC(N)CC1CCOCC1.
What is the InChIKey of 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine?
The InChIKey is NQZLABQUOAIVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-13-8-10(11)7-9-3-5-12-6-4-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine?
1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine has a molecular weight of 203.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(oxan-4-yl)propan-2-amine is sourced from PubChem (CID 65127948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).