3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide

C14H31N3O3S — CID 102971673

IUPAC3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)N(C)CCCNC(C)C)CCC1C
InChIInChI=1S/C14H31N3O3S/c1-12(2)15-8-6-9-16(4)21(18,19)17-10-7-13(3)14(11-17)20-5/h12-15H,6-11H2,1-5H3
InChIKeyPSKFSWBMCLMWSM-UHFFFAOYSA-N
MW321.49 g/mol
LogP0.91
Rot. Bonds8

About 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide

3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide (PubChem CID 102971673) has the molecular formula C14H31N3O3S and a molecular weight of 321.49 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
PubChem CID102971673
Molecular FormulaC14H31N3O3S
Molecular Weight321.49 g/mol
Exact Mass321.21
IUPAC Name3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)N(C)CCCNC(C)C)CCC1C
InChIInChI=1S/C14H31N3O3S/c1-12(2)15-8-6-9-16(4)21(18,19)17-10-7-13(3)14(11-17)20-5/h12-15H,6-11H2,1-5H3
InChIKeyPSKFSWBMCLMWSM-UHFFFAOYSA-N
XLogP0.91
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
CID 102971424
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
3-(3-methoxy-4-methylpiperidin-1-yl)-N-propan-2-ylbutan-1-amine
CID 102968014
N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
CID 83045047
N-[3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpropyl]cyclopropanamine
CID 102971420
N-[2-(3-methoxy-4-methylpiperidin-1-yl)sulfonylethyl]cyclopropanamine
CID 102971594
N-(3-aminopropyl)-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 112624880
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
1-[methyl-[3-[methyl(propan-2-yl)amino]propylsulfamoyl]amino]-3-(propan-2-ylamino)propane
CID 106095094
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The IUPAC name of 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide (CID 102971673) is 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The canonical SMILES for 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide is COC1CN(S(=O)(=O)N(C)CCCNC(C)C)CCC1C.
What is the InChIKey of 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
The InChIKey is PSKFSWBMCLMWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O3S/c1-12(2)15-8-6-9-16(4)21(18,19)17-10-7-13(3)14(11-17)20-5/h12-15H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide?
3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide has a molecular weight of 321.49 g/mol, XLogP of 0.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 102971673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).