methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

C14H20N2O4S — CID 110821806

IUPACmethyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-5-3-4-6-13(11)21(18,19)15-12-7-9-16(10-8-12)14(17)20-2/h3-6,12,15H,7-10H2,1-2H3
InChIKeyUIHVSFZDIJQIHG-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.50
Rot. Bonds3

About methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate

methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (PubChem CID 110821806) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
PubChem CID110821806
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1
InChIInChI=1S/C14H20N2O4S/c1-11-5-3-4-6-13(11)21(18,19)15-12-7-9-16(10-8-12)14(17)20-2/h3-6,12,15H,7-10H2,1-2H3
InChIKeyUIHVSFZDIJQIHG-UHFFFAOYSA-N
XLogP1.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
2-methyl-N-(1-pentanoylpiperidin-4-yl)benzenesulfonamide
CID 110819574
ethyl 4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 30923060
tert-butyl 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
CID 55987776
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
2-methoxy-4,5-dimethyl-N-[1-(2-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108566975
tert-butyl 4-[(2,3-dichlorophenyl)sulfonylamino]piperidine-1-carboxylate
CID 24953157
N-[4-(4-cyclobutylpiperazine-1-carbonyl)cyclohexyl]-2-methylbenzenesulfonamide
CID 67393705
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
ethyl 4-(isoquinolin-5-ylsulfonylamino)piperidine-1-carboxylate
CID 25043133
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566788
N-cyclopent-3-en-1-yl-2-methylbenzenesulfonamide
CID 115695655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate (CID 110821806) is methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NS(=O)(=O)c2ccccc2C)CC1.
What is the InChIKey of methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
The InChIKey is UIHVSFZDIJQIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-5-3-4-6-13(11)21(18,19)15-12-7-9-16(10-8-12)14(17)20-2/h3-6,12,15H,7-10H2,1-2H3.
What are the key properties of methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate?
methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methylphenyl)sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 110821806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).