3-cyclopentylsulfinyl-N-propyloxan-4-amine

C13H25NO2S — CID 64657061

IUPAC3-cyclopentylsulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)C1CCCC1
InChIInChI=1S/C13H25NO2S/c1-2-8-14-12-7-9-16-10-13(12)17(15)11-5-3-4-6-11/h11-14H,2-10H2,1H3
InChIKeyGBTYOQYTWGSHNQ-UHFFFAOYSA-N
MW259.41 g/mol
LogP1.83
Rot. Bonds5

About 3-cyclopentylsulfinyl-N-propyloxan-4-amine

3-cyclopentylsulfinyl-N-propyloxan-4-amine (PubChem CID 64657061) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 3-cyclopentylsulfinyl-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-cyclopentylsulfinyl-N-propyloxan-4-amine
PubChem CID64657061
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name3-cyclopentylsulfinyl-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1S(=O)C1CCCC1
InChIInChI=1S/C13H25NO2S/c1-2-8-14-12-7-9-16-10-13(12)17(15)11-5-3-4-6-11/h11-14H,2-10H2,1H3
InChIKeyGBTYOQYTWGSHNQ-UHFFFAOYSA-N
XLogP1.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 64654215
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(2,5-dichlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64657339
3-(3-chlorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64658377
2-cyclohexylsulfinyl-N-ethylcycloheptan-1-amine
CID 64654965
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
N-[2-cyclohexylsulfinyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754712
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374
N-ethyl-4,4-dimethyl-2-(oxan-4-ylsulfinyl)cyclohexan-1-amine
CID 64655460
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
N-ethyl-3-(3-methylbutan-2-ylsulfinyl)oxan-4-amine
CID 107759484

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfinyl-N-propyloxan-4-amine?
The IUPAC name of 3-cyclopentylsulfinyl-N-propyloxan-4-amine (CID 64657061) is 3-cyclopentylsulfinyl-N-propyloxan-4-amine.
What is the SMILES notation for 3-cyclopentylsulfinyl-N-propyloxan-4-amine?
The canonical SMILES for 3-cyclopentylsulfinyl-N-propyloxan-4-amine is CCCNC1CCOCC1S(=O)C1CCCC1.
What is the InChIKey of 3-cyclopentylsulfinyl-N-propyloxan-4-amine?
The InChIKey is GBTYOQYTWGSHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-2-8-14-12-7-9-16-10-13(12)17(15)11-5-3-4-6-11/h11-14H,2-10H2,1H3.
What are the key properties of 3-cyclopentylsulfinyl-N-propyloxan-4-amine?
3-cyclopentylsulfinyl-N-propyloxan-4-amine has a molecular weight of 259.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfinyl-N-propyloxan-4-amine is sourced from PubChem (CID 64657061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).