N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide

C20H30N4O3S — CID 91921155

IUPACN,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1
InChIInChI=1S/C20H30N4O3S/c1-22(2)28(26,27)23-14-8-17(9-15-23)24-18(16-6-12-21-13-7-16)20(19(24)25)10-4-3-5-11-20/h6-7,12-13,17-18H,3-5,8-11,14-15H2,1-2H3
InChIKeyKBMWADLEKODLOP-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.19
Rot. Bonds4

About N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide

N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide (PubChem CID 91921155) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide
PubChem CID91921155
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC NameN,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1
InChIInChI=1S/C20H30N4O3S/c1-22(2)28(26,27)23-14-8-17(9-15-23)24-18(16-6-12-21-13-7-16)20(19(24)25)10-4-3-5-11-20/h6-7,12-13,17-18H,3-5,8-11,14-15H2,1-2H3
InChIKeyKBMWADLEKODLOP-UHFFFAOYSA-N
XLogP2.19
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide (CID 91921155) is N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC(N2C(=O)C3(CCCCC3)C2c2ccncc2)CC1.
What is the InChIKey of N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide?
The InChIKey is KBMWADLEKODLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-22(2)28(26,27)23-14-8-17(9-15-23)24-18(16-6-12-21-13-7-16)20(19(24)25)10-4-3-5-11-20/h6-7,12-13,17-18H,3-5,8-11,14-15H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide?
N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide has a molecular weight of 406.55 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-oxo-1-pyridin-4-yl-2-azaspiro[3.5]nonan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 91921155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).