2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine

C16H23F2NOS — CID 64651180

IUPAC2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NOS/c1-2-10-19-14-6-4-3-5-7-16(14)21(20)15-9-8-12(17)11-13(15)18/h8-9,11,14,16,19H,2-7,10H2,1H3
InChIKeyVIWZHTNBRJXDPT-UHFFFAOYSA-N
MW315.43 g/mol
LogP3.77
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine

2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine (PubChem CID 64651180) has the molecular formula C16H23F2NOS and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
PubChem CID64651180
Molecular FormulaC16H23F2NOS
Molecular Weight315.43 g/mol
Exact Mass315.15
IUPAC Name2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1S(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2NOS/c1-2-10-19-14-6-4-3-5-7-16(14)21(20)15-9-8-12(17)11-13(15)18/h8-9,11,14,16,19H,2-7,10H2,1H3
InChIKeyVIWZHTNBRJXDPT-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64652067
3-(2,4-difluorophenyl)sulfinyl-N-propyloxan-4-amine
CID 64653449
3-(2,4-difluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64717172
2-[(2,4-difluorophenyl)methyl]-N-propylcyclohexan-1-amine
CID 62197668
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-(2,4-difluorophenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64613082
3-(2,4-difluorophenyl)sulfinyl-N-ethylcyclohexan-1-amine
CID 64717560
2-[2-(2,5-difluorophenyl)sulfinylethyl]-N-propylcyclopentan-1-amine
CID 79587610
2-(2,5-difluorophenyl)sulfanyl-N-propylcyclooctan-1-amine
CID 64648677
4-ethyl-2-(2-fluorophenyl)sulfinyl-N-propylcyclohexan-1-amine
CID 64657752
2-(2,5-difluorophenyl)-N-propylcyclopentan-1-amine
CID 62801737
2-(4-fluorophenyl)sulfinyl-4,4-dimethyl-N-propylcyclohexan-1-amine
CID 64659067

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine (CID 64651180) is 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1S(=O)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine?
The InChIKey is VIWZHTNBRJXDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NOS/c1-2-10-19-14-6-4-3-5-7-16(14)21(20)15-9-8-12(17)11-13(15)18/h8-9,11,14,16,19H,2-7,10H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine?
2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine has a molecular weight of 315.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfinyl-N-propylcycloheptan-1-amine is sourced from PubChem (CID 64651180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).