2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

C15H21F2NOS — CID 64652067

IUPAC2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NOS/c1-2-9-18-13-5-3-4-6-14(13)20(19)15-10-11(16)7-8-12(15)17/h7-8,10,13-14,18H,2-6,9H2,1H3
InChIKeyQXPUHSLLIGQSIG-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.38
Rot. Bonds5

About 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine

2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (PubChem CID 64652067) has the molecular formula C15H21F2NOS and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
PubChem CID64652067
Molecular FormulaC15H21F2NOS
Molecular Weight301.40 g/mol
Exact Mass301.13
IUPAC Name2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)c1cc(F)ccc1F
InChIInChI=1S/C15H21F2NOS/c1-2-9-18-13-5-3-4-6-14(13)20(19)15-10-11(16)7-8-12(15)17/h7-8,10,13-14,18H,2-6,9H2,1H3
InChIKeyQXPUHSLLIGQSIG-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
CID 64651180
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
3-(2,5-difluorophenyl)sulfinyl-N-ethyl-2-methylcyclopentan-1-amine
CID 64905728
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine (CID 64652067) is 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is CCCNC1CCCCC1S(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
The InChIKey is QXPUHSLLIGQSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NOS/c1-2-9-18-13-5-3-4-6-14(13)20(19)15-10-11(16)7-8-12(15)17/h7-8,10,13-14,18H,2-6,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine?
2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine has a molecular weight of 301.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64652067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).