N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide

C18H31N5O2S — CID 109490604

IUPACN',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCNS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H31N5O2S/c1-4-8-18(2)9-6-13-23(15-18)17(19-3)21-11-12-22-26(24,25)16-7-5-10-20-14-16/h5,7,10,14,22H,4,6,8-9,11-13,15H2,1-3H3,(H,19,21)
InChIKeyZRAMHSRTODPLRP-UHFFFAOYSA-N
MW381.55 g/mol
LogP1.84
Rot. Bonds7

About N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide

N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide (PubChem CID 109490604) has the molecular formula C18H31N5O2S and a molecular weight of 381.55 g/mol. Its IUPAC name is N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
PubChem CID109490604
Molecular FormulaC18H31N5O2S
Molecular Weight381.55 g/mol
Exact Mass381.22
IUPAC NameN',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCNS(=O)(=O)c2cccnc2)C1
InChIInChI=1S/C18H31N5O2S/c1-4-8-18(2)9-6-13-23(15-18)17(19-3)21-11-12-22-26(24,25)16-7-5-10-20-14-16/h5,7,10,14,22H,4,6,8-9,11-13,15H2,1-3H3,(H,19,21)
InChIKeyZRAMHSRTODPLRP-UHFFFAOYSA-N
XLogP1.84
TPSA86.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
2-ethyl-N'-methyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]thiomorpholine-4-carboximidamide
CID 109486106
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N-[2-(furan-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490544
2-[[ethylamino-(3-methyl-3-propylpiperidin-1-yl)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 109490735
N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490206
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490779
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N-propylpyridine-3-sulfonamide
CID 43258995

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide (CID 109490604) is N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCCNS(=O)(=O)c2cccnc2)C1.
What is the InChIKey of N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide?
The InChIKey is ZRAMHSRTODPLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2S/c1-4-8-18(2)9-6-13-23(15-18)17(19-3)21-11-12-22-26(24,25)16-7-5-10-20-14-16/h5,7,10,14,22H,4,6,8-9,11-13,15H2,1-3H3,(H,19,21).
What are the key properties of N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide?
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide has a molecular weight of 381.55 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109490604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).