N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

C16H29N3O3S — CID 131686616

IUPACN-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESCC(C)N(C)CC(=O)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H29N3O3S/c1-12(2)18(3)10-15(20)19-7-6-16(11-19)8-13(9-16)17-23(21,22)14-4-5-14/h12-14,17H,4-11H2,1-3H3
InChIKeyIXSWCJRONRHLKX-UHFFFAOYSA-N
MW343.49 g/mol
LogP0.79
Rot. Bonds6

About N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide

N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (PubChem CID 131686616) has the molecular formula C16H29N3O3S and a molecular weight of 343.49 g/mol. Its IUPAC name is N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
PubChem CID131686616
Molecular FormulaC16H29N3O3S
Molecular Weight343.49 g/mol
Exact Mass343.19
IUPAC NameN-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide
SMILESCC(C)N(C)CC(=O)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1
InChIInChI=1S/C16H29N3O3S/c1-12(2)18(3)10-15(20)19-7-6-16(11-19)8-13(9-16)17-23(21,22)14-4-5-14/h12-14,17H,4-11H2,1-3H3
InChIKeyIXSWCJRONRHLKX-UHFFFAOYSA-N
XLogP0.79
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The IUPAC name of N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide (CID 131686616) is N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is CC(C)N(C)CC(=O)N1CCC2(CC(NS(=O)(=O)C3CC3)C2)C1.
What is the InChIKey of N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
The InChIKey is IXSWCJRONRHLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3S/c1-12(2)18(3)10-15(20)19-7-6-16(11-19)8-13(9-16)17-23(21,22)14-4-5-14/h12-14,17H,4-11H2,1-3H3.
What are the key properties of N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide?
N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide has a molecular weight of 343.49 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[methyl(propan-2-yl)amino]acetyl]-6-azaspiro[3.4]octan-2-yl]cyclopropanesulfonamide is sourced from PubChem (CID 131686616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).