N-(5-methylsulfanylpentyl)oxan-3-amine

C11H23NOS — CID 104926386

IUPACN-(5-methylsulfanylpentyl)oxan-3-amine
SMILESCSCCCCCNC1CCCOC1
InChIInChI=1S/C11H23NOS/c1-14-9-4-2-3-7-12-11-6-5-8-13-10-11/h11-12H,2-10H2,1H3
InChIKeyCFLYUYYNSQDTIM-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.29
Rot. Bonds7

About N-(5-methylsulfanylpentyl)oxan-3-amine

N-(5-methylsulfanylpentyl)oxan-3-amine (PubChem CID 104926386) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-(5-methylsulfanylpentyl)oxan-3-amine.

Molecular Properties

Compound NameN-(5-methylsulfanylpentyl)oxan-3-amine
PubChem CID104926386
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-(5-methylsulfanylpentyl)oxan-3-amine
SMILESCSCCCCCNC1CCCOC1
InChIInChI=1S/C11H23NOS/c1-14-9-4-2-3-7-12-11-6-5-8-13-10-11/h11-12H,2-10H2,1H3
InChIKeyCFLYUYYNSQDTIM-UHFFFAOYSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.29
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

4-(oxan-3-ylamino)butan-1-ol
CID 63363797
N-[3-(2-methylpropylsulfanyl)propyl]oxan-3-amine
CID 115896613
N-(3-methylsulfanylpropyl)cyclohexanamine
CID 28609981
3-methyl-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 115654251
1-methyl-N-(5-methylsulfanylpentyl)azepan-4-amine
CID 104926411
3-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 103087761
N-[3-(oxan-3-ylamino)propyl]ethanesulfonamide
CID 115715071
N-(3-methylsulfanylpropyl)cyclopropanamine
CID 28607191
N-(6-methylsulfanylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 114125031
4-methoxy-N-(4-methylsulfanylbutyl)cyclohexan-1-amine
CID 104530252
N-(2-prop-2-ynylsulfanylethyl)oxan-3-amine
CID 115891550
3-(6-methylsulfanylhexylamino)cyclohexane-1-carboxylic acid
CID 114125026

Frequently Asked Questions

What is the IUPAC name of N-(5-methylsulfanylpentyl)oxan-3-amine?
The IUPAC name of N-(5-methylsulfanylpentyl)oxan-3-amine (CID 104926386) is N-(5-methylsulfanylpentyl)oxan-3-amine.
What is the SMILES notation for N-(5-methylsulfanylpentyl)oxan-3-amine?
The canonical SMILES for N-(5-methylsulfanylpentyl)oxan-3-amine is CSCCCCCNC1CCCOC1.
What is the InChIKey of N-(5-methylsulfanylpentyl)oxan-3-amine?
The InChIKey is CFLYUYYNSQDTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-14-9-4-2-3-7-12-11-6-5-8-13-10-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(5-methylsulfanylpentyl)oxan-3-amine?
N-(5-methylsulfanylpentyl)oxan-3-amine has a molecular weight of 217.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylsulfanylpentyl)oxan-3-amine is sourced from PubChem (CID 104926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).