N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide

C15H31N3O3S — CID 42958041

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(C)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H31N3O3S/c1-12-5-7-18(8-6-12)22(19,20)16-9-13(2)17-10-14(3)21-15(4)11-17/h12-16H,5-11H2,1-4H3
InChIKeyZMQFALDTVDTWFI-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.05
Rot. Bonds5

About N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide

N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide (PubChem CID 42958041) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide
PubChem CID42958041
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)NCC(C)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C15H31N3O3S/c1-12-5-7-18(8-6-12)22(19,20)16-9-13(2)17-10-14(3)21-15(4)11-17/h12-16H,5-11H2,1-4H3
InChIKeyZMQFALDTVDTWFI-UHFFFAOYSA-N
XLogP1.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide (CID 42958041) is N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)NCC(C)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide?
The InChIKey is ZMQFALDTVDTWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-12-5-7-18(8-6-12)22(19,20)16-9-13(2)17-10-14(3)21-15(4)11-17/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide?
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide has a molecular weight of 333.50 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-4-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 42958041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).