N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

C13H17F2NS — CID 103701474

IUPACN-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NS/c1-17-11-6-5-10(7-11)16-8-9-3-2-4-12(14)13(9)15/h2-4,10-11,16H,5-8H2,1H3
InChIKeySIWBKHJKDRMGAI-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.34
Rot. Bonds4

About N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine

N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (PubChem CID 103701474) has the molecular formula C13H17F2NS and a molecular weight of 257.35 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
PubChem CID103701474
Molecular FormulaC13H17F2NS
Molecular Weight257.35 g/mol
Exact Mass257.10
IUPAC NameN-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
SMILESCSC1CCC(NCc2cccc(F)c2F)C1
InChIInChI=1S/C13H17F2NS/c1-17-11-6-5-10(7-11)16-8-9-3-2-4-12(14)13(9)15/h2-4,10-11,16H,5-8H2,1H3
InChIKeySIWBKHJKDRMGAI-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 43425026
N-[[2-(methoxymethyl)phenyl]methyl]-3-methylsulfanylcyclopentan-1-amine
CID 114122843
N-(1H-indol-7-ylmethyl)-3-methylsulfanylcyclopentan-1-amine
CID 103701472
3-methylsulfanyl-N-(quinolin-8-ylmethyl)cyclopentan-1-amine
CID 103701386
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104854276
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754
3-methylsulfanyl-N-[(2-nitrophenyl)methyl]cyclopentan-1-amine
CID 103926173
2,6-difluoro-4-[[(3-methylsulfanylcyclopentyl)amino]methyl]phenol
CID 113251438
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
4-[(2,3-difluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 55149645
N-[(2,3-difluorophenyl)methyl]-1,1-dioxothietan-3-amine
CID 165451308
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine (CID 103701474) is N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is CSC1CCC(NCc2cccc(F)c2F)C1.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is SIWBKHJKDRMGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NS/c1-17-11-6-5-10(7-11)16-8-9-3-2-4-12(14)13(9)15/h2-4,10-11,16H,5-8H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine?
N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103701474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).