N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine

C10H19F2NO3S — CID 103082634

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCOCC(F)F
InChIInChI=1S/C10H19F2NO3S/c1-17(14,15)9-4-2-3-8(9)13-5-6-16-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyGVMVVQBHTRFBJO-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.82
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine (PubChem CID 103082634) has the molecular formula C10H19F2NO3S and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
PubChem CID103082634
Molecular FormulaC10H19F2NO3S
Molecular Weight271.33 g/mol
Exact Mass271.11
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine
SMILESCS(=O)(=O)C1CCCC1NCCOCC(F)F
InChIInChI=1S/C10H19F2NO3S/c1-17(14,15)9-4-2-3-8(9)13-5-6-16-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyGVMVVQBHTRFBJO-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 61490721
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 61490839
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 61492634
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-3-amine
CID 63924619
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 64630782
2-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 65045807
2-methylsulfonyl-N-(3,3,3-trifluoropropyl)cyclopentan-1-amine
CID 65045963
3-ethylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 65092902
1,1-dioxo-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]thiolan-3-amine
CID 66276188
3-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 80055954
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 81038484
N-[(1,1-dioxothiolan-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 81038906

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine (CID 103082634) is N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine is CS(=O)(=O)C1CCCC1NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine?
The InChIKey is GVMVVQBHTRFBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO3S/c1-17(14,15)9-4-2-3-8(9)13-5-6-16-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine has a molecular weight of 271.33 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-2-methylsulfonylcyclopentan-1-amine is sourced from PubChem (CID 103082634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).