1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine

C15H24FNOS — CID 129313618

IUPAC1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
SMILESCC1(S(=O)C2CCCC2)C=CC(CC(N)CF)=CC1
InChIInChI=1S/C15H24FNOS/c1-15(19(18)14-4-2-3-5-14)8-6-12(7-9-15)10-13(17)11-16/h6-8,13-14H,2-5,9-11,17H2,1H3
InChIKeyCTICPVPBTMGBTM-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine

1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine (PubChem CID 129313618) has the molecular formula C15H24FNOS and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
PubChem CID129313618
Molecular FormulaC15H24FNOS
Molecular Weight285.43 g/mol
Exact Mass285.16
IUPAC Name1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine
SMILESCC1(S(=O)C2CCCC2)C=CC(CC(N)CF)=CC1
InChIInChI=1S/C15H24FNOS/c1-15(19(18)14-4-2-3-5-14)8-6-12(7-9-15)10-13(17)11-16/h6-8,13-14H,2-5,9-11,17H2,1H3
InChIKeyCTICPVPBTMGBTM-UHFFFAOYSA-N
XLogP3.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine?
The IUPAC name of 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine (CID 129313618) is 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine.
What is the SMILES notation for 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine?
The canonical SMILES for 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine is CC1(S(=O)C2CCCC2)C=CC(CC(N)CF)=CC1.
What is the InChIKey of 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine?
The InChIKey is CTICPVPBTMGBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNOS/c1-15(19(18)14-4-2-3-5-14)8-6-12(7-9-15)10-13(17)11-16/h6-8,13-14H,2-5,9-11,17H2,1H3.
What are the key properties of 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine?
1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine has a molecular weight of 285.43 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfinyl-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropropan-2-amine is sourced from PubChem (CID 129313618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).