propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate

C16H24N2O4S — CID 3623028

IUPACpropan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-16(19)17-14-8-10-18(11-9-14)23(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyVHMQIQRRDCVCIQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP2.28
Rot. Bonds4

About propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate

propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate (PubChem CID 3623028) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
PubChem CID3623028
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Namepropan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)C)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-12(2)22-16(19)17-14-8-10-18(11-9-14)23(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19)
InChIKeyVHMQIQRRDCVCIQ-UHFFFAOYSA-N
XLogP2.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-{[(4-cyanophenyl)sulfonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
CID 2815494
tert-butyl N-[4-oxo-4-[2-(4-sulfamoylphenyl)ethylamino]butyl]carbamate
CID 118707440
1-(tert-Butoxycarbonyl)-4-(p-toluenesulfonyloxy)piperidine
CID 15734713
Methyl 4-(4-morpholinylsulfonyl)benzylcarbamate
CID 847855
1-[(4-methylphenyl)sulfonyl]-N-[3-(propan-2-yloxy)propyl]piperidine-4-carboxamide
CID 3156693
1-(Toluene-4-sulfonyl)-piperidine-3-carboxylic acid (3-methoxy-propyl)-amide
CID 3156754
Ethyl 4-[4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoyl]piperazine-1-carboxylate
CID 16250954
N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-4-methylbenzenesulfonamide
CID 17154096
N1-cyclopentyl-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 18574364
N1-cyclopropyl-N2-(2-(1-tosylpiperidin-2-yl)ethyl)oxalamide
CID 18574402
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid methyl ester
CID 44461785
{1-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-butyl]-piperidin-4-yl}-carbamic acid tert-butyl ester
CID 44461790

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The IUPAC name of propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate (CID 3623028) is propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate is Cc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)C)CC2)cc1.
What is the InChIKey of propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
The InChIKey is VHMQIQRRDCVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)22-16(19)17-14-8-10-18(11-9-14)23(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3,(H,17,19).
What are the key properties of propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate?
propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate has a molecular weight of 340.45 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbamate is sourced from PubChem (CID 3623028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).