methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate

C9H18N4O4S — CID 107162799

IUPACmethyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)NC(=O)OC)CC1
InChIInChI=1S/C9H18N4O4S/c1-9(7(10)11)3-5-13(6-4-9)18(15,16)12-8(14)17-2/h3-6H2,1-2H3,(H3,10,11)(H,12,14)
InChIKeyYEJPXGSDTZDXFX-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.37
Rot. Bonds3

About methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate

methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate (PubChem CID 107162799) has the molecular formula C9H18N4O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
PubChem CID107162799
Molecular FormulaC9H18N4O4S
Molecular Weight278.33 g/mol
Exact Mass278.10
IUPAC Namemethyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate
SMILES[H]/N=C(\N)C1(C)CCN(S(=O)(=O)NC(=O)OC)CC1
InChIInChI=1S/C9H18N4O4S/c1-9(7(10)11)3-5-13(6-4-9)18(15,16)12-8(14)17-2/h3-6H2,1-2H3,(H3,10,11)(H,12,14)
InChIKeyYEJPXGSDTZDXFX-UHFFFAOYSA-N
XLogP-0.37
TPSA125.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(methoxycarbonylsulfamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114462622
methyl N-(4,4-difluoropiperidin-1-yl)sulfonylcarbamate
CID 168931490
ethyl N-(4-carbamothioyl-4-methylpiperidin-1-yl)sulfonylcarbamate
CID 107161358
1-cyclohexylsulfonyl-4-methylpiperidine-4-carboximidamide
CID 107162815
1-(3,3-dimethylbutylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162830
4-methyl-1-(methylsulfamoyl)piperidine-4-carboxamide
CID 163619342
methyl N-(4-chloropiperidin-1-yl)sulfonylcarbamate
CID 114466190
methyl N-(3-amino-3-cyclopropylazetidin-1-yl)sulfonylcarbamate
CID 114467046
1-(1H-imidazol-5-ylsulfonyl)-4-methylpiperidine-4-carboximidamide
CID 107162798
methyl N-(3-amino-3-propan-2-ylazetidin-1-yl)sulfonylcarbamate
CID 114467044
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-4-methylpiperidine-4-carboximidamide
CID 107161954
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate (CID 107162799) is methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate is [H]/N=C(\N)C1(C)CCN(S(=O)(=O)NC(=O)OC)CC1.
What is the InChIKey of methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate?
The InChIKey is YEJPXGSDTZDXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O4S/c1-9(7(10)11)3-5-13(6-4-9)18(15,16)12-8(14)17-2/h3-6H2,1-2H3,(H3,10,11)(H,12,14).
What are the key properties of methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate?
methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate has a molecular weight of 278.33 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-carbamimidoyl-4-methylpiperidin-1-yl)sulfonylcarbamate is sourced from PubChem (CID 107162799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).