N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide

C10H20F2N2O2S — CID 62008225

IUPACN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-14(17(15,16)9(11)12)10(8-13)6-4-2-3-5-7-10/h9H,2-8,13H2,1H3
InChIKeyVSNLIHVMJZGZBF-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.52
Rot. Bonds4

About N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 62008225) has the molecular formula C10H20F2N2O2S and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID62008225
Molecular FormulaC10H20F2N2O2S
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C10H20F2N2O2S/c1-14(17(15,16)9(11)12)10(8-13)6-4-2-3-5-7-10/h9H,2-8,13H2,1H3
InChIKeyVSNLIHVMJZGZBF-UHFFFAOYSA-N
XLogP1.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide (CID 62008225) is N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide is CN(C1(CN)CCCCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is VSNLIHVMJZGZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2O2S/c1-14(17(15,16)9(11)12)10(8-13)6-4-2-3-5-7-10/h9H,2-8,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 270.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 62008225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).