1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine

C10H21NOS — CID 107136409

IUPAC1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCCOC1
InChIInChI=1S/C10H21NOS/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-10H,3-7,11H2,1-2H3
InChIKeyHNRBKMQTMXOKGC-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.88
Rot. Bonds4

About 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine

1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine (PubChem CID 107136409) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
PubChem CID107136409
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine
SMILESCC(C)SCC(N)C1CCCOC1
InChIInChI=1S/C10H21NOS/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-10H,3-7,11H2,1-2H3
InChIKeyHNRBKMQTMXOKGC-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-(oxan-3-yl)-2-propan-2-ylsulfanylethanol
CID 107136105
3-methyl-1-(oxan-3-yl)butan-1-amine
CID 65331695
1-(oxan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65131354
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
(1S)-1-[(3R)-oxan-3-yl]ethanamine
CID 96637700
1-(oxan-3-yl)heptan-1-amine
CID 65331908
1-(oxan-3-yl)-2-(4-propan-2-ylphenyl)ethanamine
CID 65331960
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
bis(oxan-3-yl)methanamine
CID 107136437
3-methoxy-3-methyl-1-(oxan-3-yl)butan-1-amine
CID 107139106
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine?
The IUPAC name of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine (CID 107136409) is 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine.
What is the SMILES notation for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine?
The canonical SMILES for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine is CC(C)SCC(N)C1CCCOC1.
What is the InChIKey of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine?
The InChIKey is HNRBKMQTMXOKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(2)13-7-10(11)9-4-3-5-12-6-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine?
1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine has a molecular weight of 203.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-2-propan-2-ylsulfanylethanamine is sourced from PubChem (CID 107136409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).