(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide

C10H18F2N2O2S — CID 162544180

IUPAC(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@H](C(F)F)CC2(CC2)C1
InChIInChI=1S/C10H18F2N2O2S/c1-13(2)17(15,16)14-6-8(9(11)12)5-10(7-14)3-4-10/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAMNQHRKQIATBIB-MRVPVSSYSA-N
MW268.33 g/mol
LogP1.16
Rot. Bonds3

About (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide

(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide (PubChem CID 162544180) has the molecular formula C10H18F2N2O2S and a molecular weight of 268.33 g/mol. Its IUPAC name is (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide.

Molecular Properties

Compound Name(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide
PubChem CID162544180
Molecular FormulaC10H18F2N2O2S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@H](C(F)F)CC2(CC2)C1
InChIInChI=1S/C10H18F2N2O2S/c1-13(2)17(15,16)14-6-8(9(11)12)5-10(7-14)3-4-10/h8-9H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyAMNQHRKQIATBIB-MRVPVSSYSA-N
XLogP1.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-sulfonamide
CID 132970454
4-(2-Methylbutan-2-yl)-1-(trifluoromethylsulfonyl)piperidine
CID 126647929
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-sulfonamide
CID 127364964
1,1-Difluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 134821823
1-Tert-butyl-2,2-difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
CID 156147912
2,2,4-Trifluoro-6-azaspiro[2.5]octane-6-sulfonamide
CID 156757472
4-tert-butyl-N,N-difluoropiperidine-1-sulfonamide
CID 164933940
2,2-Difluoro-5-methyl-6-azaspiro[2.5]octane-6-sulfonamide
CID 172732717
5-(Difluoromethylsulfonyl)-7-propan-2-yl-5-azaspiro[2.5]octane
CID 176666126
N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 45865755
(3S)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 51930229
(3R)-N,N-diethyl-3-(trifluoromethyl)piperidine-1-sulfonamide
CID 51930230

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide?
The IUPAC name of (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide (CID 162544180) is (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide.
What is the SMILES notation for (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide?
The canonical SMILES for (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide is CN(C)S(=O)(=O)N1C[C@H](C(F)F)CC2(CC2)C1.
What is the InChIKey of (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide?
The InChIKey is AMNQHRKQIATBIB-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18F2N2O2S/c1-13(2)17(15,16)14-6-8(9(11)12)5-10(7-14)3-4-10/h8-9H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide?
(7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide has a molecular weight of 268.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(difluoromethyl)-N,N-dimethyl-5-azaspiro[2.5]octane-5-sulfonamide is sourced from PubChem (CID 162544180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).