4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide

C12H25N3O2S — CID 107162003

IUPAC4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O2S/c1-10(2)18(16,17)9-8-15-6-4-12(3,5-7-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMQNJKESCLZNJEQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.85
Rot. Bonds5

About 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide

4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide (PubChem CID 107162003) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
PubChem CID107162003
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C12H25N3O2S/c1-10(2)18(16,17)9-8-15-6-4-12(3,5-7-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14)
InChIKeyMQNJKESCLZNJEQ-UHFFFAOYSA-N
XLogP0.85
TPSA87.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.85
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'}

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Related Compounds

1-(2-tert-butylsulfonylethyl)-4-methylpiperidine-4-carboximidamide
CID 107162078
4-methyl-1-(3-methylbutyl)piperidine-4-carboximidamide
CID 107162056
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-cyclopentylethyl)-4-methylpiperidine-4-carboximidamide
CID 114191294
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162830
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
CID 119907593
1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
CID 107162815
1-benzyl-4-methylpiperidine-4-carboximidamide
CID 107162081
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide?
The IUPAC name of 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide (CID 107162003) is 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide.
What is the SMILES notation for 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide?
The canonical SMILES for 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(CCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide?
The InChIKey is MQNJKESCLZNJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10(2)18(16,17)9-8-15-6-4-12(3,5-7-15)11(13)14/h10H,4-9H2,1-3H3,(H3,13,14).
What are the key properties of 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide?
4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide has a molecular weight of 275.42 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-propan-2-ylsulfonylethyl)piperidine-4-carboximidamide is sourced from PubChem (CID 107162003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).