N-(3-methylsulfinylpropyl)oxan-4-amine

C9H19NO2S — CID 115654136

IUPACN-(3-methylsulfinylpropyl)oxan-4-amine
SMILESCS(=O)CCCNC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-13(11)8-2-5-10-9-3-6-12-7-4-9/h9-10H,2-8H2,1H3
InChIKeyDMEWITKNHOBAAN-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.52
Rot. Bonds5

About N-(3-methylsulfinylpropyl)oxan-4-amine

N-(3-methylsulfinylpropyl)oxan-4-amine (PubChem CID 115654136) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-(3-methylsulfinylpropyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-methylsulfinylpropyl)oxan-4-amine
PubChem CID115654136
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-(3-methylsulfinylpropyl)oxan-4-amine
SMILESCS(=O)CCCNC1CCOCC1
InChIInChI=1S/C9H19NO2S/c1-13(11)8-2-5-10-9-3-6-12-7-4-9/h9-10H,2-8H2,1H3
InChIKeyDMEWITKNHOBAAN-UHFFFAOYSA-N
XLogP0.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylsulfinylpropyl)spiro[4.5]decan-8-amine
CID 114817921
2,2-dimethyl-N-(3-methylsulfinylpropyl)-1,3-dioxan-5-amine
CID 106659028
3,4-dimethyl-N-(3-methylsulfinylpropyl)cyclohexan-1-amine
CID 75508869
3-(oxan-4-ylamino)propane-1-thiol
CID 115224666
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-propyloxan-4-amine
CID 18348908
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
N-(3-methylsulfinylpropyl)-3-propan-2-ylcyclohexan-1-amine
CID 107448796
N-(2-methoxyethyl)oxan-4-amine;hydrochloride
CID 110204327
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
N-(2-ethoxyethyl)oxan-4-amine
CID 43608661
N-pent-4-ynyloxan-4-amine
CID 115656501

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfinylpropyl)oxan-4-amine?
The IUPAC name of N-(3-methylsulfinylpropyl)oxan-4-amine (CID 115654136) is N-(3-methylsulfinylpropyl)oxan-4-amine.
What is the SMILES notation for N-(3-methylsulfinylpropyl)oxan-4-amine?
The canonical SMILES for N-(3-methylsulfinylpropyl)oxan-4-amine is CS(=O)CCCNC1CCOCC1.
What is the InChIKey of N-(3-methylsulfinylpropyl)oxan-4-amine?
The InChIKey is DMEWITKNHOBAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11)8-2-5-10-9-3-6-12-7-4-9/h9-10H,2-8H2,1H3.
What are the key properties of N-(3-methylsulfinylpropyl)oxan-4-amine?
N-(3-methylsulfinylpropyl)oxan-4-amine has a molecular weight of 205.32 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfinylpropyl)oxan-4-amine is sourced from PubChem (CID 115654136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).