N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C17H24N2O3S — CID 858665

IUPACN-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13-2-6-16(7-3-13)23(21,22)19-10-8-15(9-11-19)17(20)18-12-14-4-5-14/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyLEEOCNAAPDOATE-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.92
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 858665) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID858665
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1
InChIInChI=1S/C17H24N2O3S/c1-13-2-6-16(7-3-13)23(21,22)19-10-8-15(9-11-19)17(20)18-12-14-4-5-14/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,18,20)
InChIKeyLEEOCNAAPDOATE-UHFFFAOYSA-N
XLogP1.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(aminosulphonyl)phenyl]ethyl]acetamide
CID 745994
2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
N-((4-(Aminosulphonyl)phenyl)methyl)acetamide
CID 74833
N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
N-(3-{[(4-methylphenyl)sulfonyl]amino}propyl)acetamide
CID 2186028
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
N-[2-(4-sulfamoylphenyl)ethyl]-3-sulfanylpropanamide
CID 23645368
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N~1~-cyclopropyl-N~2~-[(4-methylphenyl)sulfonyl]glycinamide
CID 894343
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 858665) is N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CC3)CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is LEEOCNAAPDOATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-13-2-6-16(7-3-13)23(21,22)19-10-8-15(9-11-19)17(20)18-12-14-4-5-14/h2-3,6-7,14-15H,4-5,8-12H2,1H3,(H,18,20).
What are the key properties of N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 858665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).