N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide

C15H33N3O2S — CID 83045047

IUPACN-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
SMILESCCCC1CCCCN1S(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C15H33N3O2S/c1-5-9-15-10-6-7-13-18(15)21(19,20)17(4)12-8-11-16-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyDGVZUNHESSVRDR-UHFFFAOYSA-N
MW319.51 g/mol
LogP2.21
Rot. Bonds9

About N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide

N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide (PubChem CID 83045047) has the molecular formula C15H33N3O2S and a molecular weight of 319.51 g/mol. Its IUPAC name is N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
PubChem CID83045047
Molecular FormulaC15H33N3O2S
Molecular Weight319.51 g/mol
Exact Mass319.23
IUPAC NameN-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide
SMILESCCCC1CCCCN1S(=O)(=O)N(C)CCCNC(C)C
InChIInChI=1S/C15H33N3O2S/c1-5-9-15-10-6-7-13-18(15)21(19,20)17(4)12-8-11-16-14(2)3/h14-16H,5-13H2,1-4H3
InChIKeyDGVZUNHESSVRDR-UHFFFAOYSA-N
XLogP2.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.51
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N,2-dimethylpiperidine-1-sulfonamide
CID 128927637
N-(3-aminopropyl)-2-(hydroxymethyl)-N-methylazepane-1-sulfonamide
CID 116634407
N-propan-2-yl-5-(2-propylpiperidin-1-yl)pentan-1-amine
CID 83061777
3-methoxy-N,4-dimethyl-N-[3-(propan-2-ylamino)propyl]piperidine-1-sulfonamide
CID 102971673
1-[3-hydroxypropyl(methyl)sulfamoyl]piperidine-2-carboxylic acid
CID 114230140
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylaminomethyl)piperidine-1-sulfonamide
CID 115988619
N-[2-[ethyl(methyl)amino]ethyl]-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106055934
1-(bromomethylsulfonyl)-2-propylpiperidine
CID 83085891
2-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-methylpiperidine-1-sulfonamide
CID 81063874
3-[1-[2-(propan-2-ylamino)ethylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480106
N-(2-hydroxyethyl)-N,2-dimethylpiperidine-1-sulfonamide
CID 60961271
(2R)-1-[butyl(methyl)sulfamoyl]pyrrolidine-2-carboxylic acid
CID 78923008

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide?
The IUPAC name of N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide (CID 83045047) is N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide?
The canonical SMILES for N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide is CCCC1CCCCN1S(=O)(=O)N(C)CCCNC(C)C.
What is the InChIKey of N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide?
The InChIKey is DGVZUNHESSVRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2S/c1-5-9-15-10-6-7-13-18(15)21(19,20)17(4)12-8-11-16-14(2)3/h14-16H,5-13H2,1-4H3.
What are the key properties of N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide?
N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide has a molecular weight of 319.51 g/mol, XLogP of 2.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(propan-2-ylamino)propyl]-2-propylpiperidine-1-sulfonamide is sourced from PubChem (CID 83045047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).