1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide

C13H27N3O2S — CID 107162078

IUPAC1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2S/c1-12(2,3)19(17,18)10-9-16-7-5-13(4,6-8-16)11(14)15/h5-10H2,1-4H3,(H3,14,15)
InChIKeyPMKKJEMFXFXWAM-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.24
Rot. Bonds4

About 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide

1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide (PubChem CID 107162078) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
PubChem CID107162078
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H27N3O2S/c1-12(2,3)19(17,18)10-9-16-7-5-13(4,6-8-16)11(14)15/h5-10H2,1-4H3,(H3,14,15)
InChIKeyPMKKJEMFXFXWAM-UHFFFAOYSA-N
XLogP1.24
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-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

4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
CID 107162003
1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162830
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
1-(2-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-heptyl-4-methylpiperidine-4-carboximidamide
CID 107161963
4-methyl-1-nonylpiperidine-4-carboximidamide
CID 107162012
1-decyl-4-methylpiperidine-4-carboximidamide
CID 107162178
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
CID 107162815
1-(2-tert-butylsulfonylethyl)-4-propylpiperidine-4-carboxylic acid
CID 106727522
3-[4-(2-tert-butylsulfonylethyl)piperazin-1-yl]propanoic acid
CID 106727406
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide (CID 107162078) is 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide?
The InChIKey is PMKKJEMFXFXWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-12(2,3)19(17,18)10-9-16-7-5-13(4,6-8-16)11(14)15/h5-10H2,1-4H3,(H3,14,15).
What are the key properties of 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide?
1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide has a molecular weight of 289.44 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107162078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).