N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide

C14H29N3O3S — CID 102971424

IUPACN-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)N(C)CCCNC2CC2)CCC1C
InChIInChI=1S/C14H29N3O3S/c1-12-7-10-17(11-14(12)20-3)21(18,19)16(2)9-4-8-15-13-5-6-13/h12-15H,4-11H2,1-3H3
InChIKeyWKJXOSZHLVYUIR-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.66
Rot. Bonds8

About N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide

N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide (PubChem CID 102971424) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
PubChem CID102971424
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide
SMILESCOC1CN(S(=O)(=O)N(C)CCCNC2CC2)CCC1C
InChIInChI=1S/C14H29N3O3S/c1-12-7-10-17(11-14(12)20-3)21(18,19)16(2)9-4-8-15-13-5-6-13/h12-15H,4-11H2,1-3H3
InChIKeyWKJXOSZHLVYUIR-UHFFFAOYSA-N
XLogP0.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.66
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

3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
CID 102971673
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-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
3,4-dimethoxy-N-methyl-N-[3-(propylamino)propyl]pyrrolidine-1-sulfonamide
CID 103541529
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
[1-(3-methoxy-4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 102971478
[3-[1-methoxypropan-2-ylsulfamoyl(methyl)amino]propylamino]cyclopropane
CID 106056961
(3S)-3-amino-N-butyl-N-methylpyrrolidine-1-sulfonamide
CID 115302268
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
[3-[methyl(pentan-2-ylsulfamoyl)amino]propylamino]cyclopropane
CID 106046227

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide (CID 102971424) is N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide is COC1CN(S(=O)(=O)N(C)CCCNC2CC2)CCC1C.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide?
The InChIKey is WKJXOSZHLVYUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-12-7-10-17(11-14(12)20-3)21(18,19)16(2)9-4-8-15-13-5-6-13/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide?
N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-3-methoxy-N,4-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 102971424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).