[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate

C15H21N3O5S — CID 175378510

IUPAC[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(COC(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O5S/c1-11-2-4-13(5-3-11)24(21,22)17-15(20)18-8-6-12(7-9-18)10-23-14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyPEODEAXMLIVGPB-UHFFFAOYSA-N
MW355.42 g/mol
LogP1.20
Rot. Bonds4

About [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate

[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate (PubChem CID 175378510) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
PubChem CID175378510
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate
SMILESCc1ccc(S(=O)(=O)NC(=O)N2CCC(COC(N)=O)CC2)cc1
InChIInChI=1S/C15H21N3O5S/c1-11-2-4-13(5-3-11)24(21,22)17-15(20)18-8-6-12(7-9-18)10-23-14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyPEODEAXMLIVGPB-UHFFFAOYSA-N
XLogP1.20
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110748344
4-N-methyl-1-N-(4-methylphenyl)sulfonylpiperidine-1,4-dicarboxamide
CID 110350771
4,4-dimethyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110749471
4-benzoyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 110394017
4-benzoyl-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110364713
N-(4-methylphenyl)sulfonyl-4-propanoyl-1,4-diazepane-1-carboxamide
CID 110811315
N-(4-methylphenyl)sulfonyl-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 110396656
[1-(azetidine-1-carbonyl)piperidin-4-yl]methyl 4-methylbenzenesulfonate
CID 135173250
4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110395597
N-(4-methylphenyl)sulfonyl-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 17149179
(4-methylphenyl)sulfonylurea;urea
CID 160676948
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate?
The IUPAC name of [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate (CID 175378510) is [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate.
What is the SMILES notation for [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate?
The canonical SMILES for [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate is Cc1ccc(S(=O)(=O)NC(=O)N2CCC(COC(N)=O)CC2)cc1.
What is the InChIKey of [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate?
The InChIKey is PEODEAXMLIVGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11-2-4-13(5-3-11)24(21,22)17-15(20)18-8-6-12(7-9-18)10-23-14(16)19/h2-5,12H,6-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate?
[1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate has a molecular weight of 355.42 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-4-yl]methyl carbamate is sourced from PubChem (CID 175378510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).