N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine

C8H15F2NO2S — CID 115405922

IUPACN-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC(F)F
InChIInChI=1S/C8H15F2NO2S/c1-14(12,13)7-4-2-3-6(7)11-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyFODQVJQPGIPNBG-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.81
Rot. Bonds4

About N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine

N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine (PubChem CID 115405922) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
PubChem CID115405922
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC NameN-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCC(F)F
InChIInChI=1S/C8H15F2NO2S/c1-14(12,13)7-4-2-3-6(7)11-5-8(9)10/h6-8,11H,2-5H2,1H3
InChIKeyFODQVJQPGIPNBG-UHFFFAOYSA-N
XLogP0.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
CID 103082634
N-(3-methoxy-2-methylpropyl)-2-methylsulfonylcyclopentan-1-amine
CID 65045799
N-(cyclopropylmethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65046998
N-[(1-methylcyclopropyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 103914483
cis-(1R,2S)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 94586193
(2R)-2-[[(1R,2R)-2-methylsulfonylcyclopentyl]amino]propan-1-ol
CID 124596706
2-[(2-methylsulfonylcyclopentyl)amino]acetamide
CID 65046579
(2R)-2-[(2-methylsulfonylcyclopentyl)amino]propan-1-ol
CID 114987227
N-(2-cyclopentylethyl)-2-methylsulfonylcyclopentan-1-amine
CID 65044497
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
N-[2-(4-fluorophenoxy)propyl]-2-methylsulfonylcyclohexan-1-amine
CID 136520499
4-methyl-1-[(2-methylsulfonylcyclopentyl)amino]pentan-3-ol
CID 75515768

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine (CID 115405922) is N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is FODQVJQPGIPNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-14(12,13)7-4-2-3-6(7)11-5-8(9)10/h6-8,11H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine?
N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 227.28 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 115405922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).