N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

C16H26N4O2S — CID 98894598

IUPACN-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESCc1nn(C)cc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-12-13(9-19(2)17-12)10-20-6-5-16(11-20)7-14(8-16)18-23(21,22)15-3-4-15/h9,14-15,18H,3-8,10-11H2,1-2H3
InChIKeySZLDTJQONFCOQO-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.16
Rot. Bonds5

About N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (PubChem CID 98894598) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
PubChem CID98894598
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESCc1nn(C)cc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H26N4O2S/c1-12-13(9-19(2)17-12)10-20-6-5-16(11-20)7-14(8-16)18-23(21,22)15-3-4-15/h9,14-15,18H,3-8,10-11H2,1-2H3
InChIKeySZLDTJQONFCOQO-UHFFFAOYSA-N
XLogP1.16
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (CID 98894598) is N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is Cc1nn(C)cc1CN1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The InChIKey is SZLDTJQONFCOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12-13(9-19(2)17-12)10-20-6-5-16(11-20)7-14(8-16)18-23(21,22)15-3-4-15/h9,14-15,18H,3-8,10-11H2,1-2H3.
What are the key properties of N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide has a molecular weight of 338.48 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,3-dimethylpyrazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 98894598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).