3-butylsulfinyloxan-4-amine

C9H19NO2S — CID 64653727

IUPAC3-butylsulfinyloxan-4-amine
SMILESCCCCS(=O)C1COCCC1N
InChIInChI=1S/C9H19NO2S/c1-2-3-6-13(11)9-7-12-5-4-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyCCPYCCCXGDBWKQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.65
Rot. Bonds4

About 3-butylsulfinyloxan-4-amine

3-butylsulfinyloxan-4-amine (PubChem CID 64653727) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-butylsulfinyloxan-4-amine.

Molecular Properties

Compound Name3-butylsulfinyloxan-4-amine
PubChem CID64653727
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-butylsulfinyloxan-4-amine
SMILESCCCCS(=O)C1COCCC1N
InChIInChI=1S/C9H19NO2S/c1-2-3-6-13(11)9-7-12-5-4-8(9)10/h8-9H,2-7,10H2,1H3
InChIKeyCCPYCCCXGDBWKQ-UHFFFAOYSA-N
XLogP0.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfinyloxan-4-amine?
The IUPAC name of 3-butylsulfinyloxan-4-amine (CID 64653727) is 3-butylsulfinyloxan-4-amine.
What is the SMILES notation for 3-butylsulfinyloxan-4-amine?
The canonical SMILES for 3-butylsulfinyloxan-4-amine is CCCCS(=O)C1COCCC1N.
What is the InChIKey of 3-butylsulfinyloxan-4-amine?
The InChIKey is CCPYCCCXGDBWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-3-6-13(11)9-7-12-5-4-8(9)10/h8-9H,2-7,10H2,1H3.
What are the key properties of 3-butylsulfinyloxan-4-amine?
3-butylsulfinyloxan-4-amine has a molecular weight of 205.32 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfinyloxan-4-amine is sourced from PubChem (CID 64653727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).