methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate

C14H20N2O4S — CID 2927741

IUPACmethyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-7-9-16(10-8-11)21(18,19)13-5-3-12(4-6-13)15-14(17)20-2/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyROHAWEUQJVQPQX-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.29
Rot. Bonds3

About methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate

methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate (PubChem CID 2927741) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate
PubChem CID2927741
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate
SMILESCOC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-11-7-9-16(10-8-11)21(18,19)13-5-3-12(4-6-13)15-14(17)20-2/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyROHAWEUQJVQPQX-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate 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

Carbamic acid, [[4-(acetylamino)phenyl]sulfonyl]-, methyl ester
CID 607662
Carbasulam
CID 15679
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
N-{4-[(2,6-dimethylpiperidin-1-yl)sulfonyl]phenyl}acetamide
CID 2836734
Ethyl {4-[(acetylamino)sulfonyl]phenyl}carbamate
CID 874302
N-(4-{[3-(morpholin-4-yl)propyl]sulfamoyl}phenyl)acetamide
CID 2144799
3-Methylpentyl(4-sulphamoylphenyl)carbamate
CID 135384691
Carbamic acid, (4-(((2-hydroxyethyl)amino)sulfonyl)phenyl)-, methyl ester
CID 1714975
Carbamic acid, (4-(4-morpholinylsulfonyl)phenyl)-, ethyl ester
CID 3067696
Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
2,2-dimethyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}propanamide
CID 2236672
3-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 697595

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate?
The IUPAC name of methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate (CID 2927741) is methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate.
What is the SMILES notation for methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate?
The canonical SMILES for methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate is COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate?
The InChIKey is ROHAWEUQJVQPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-11-7-9-16(10-8-11)21(18,19)13-5-3-12(4-6-13)15-14(17)20-2/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate?
methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate has a molecular weight of 312.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamate is sourced from PubChem (CID 2927741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).