N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

C19H30N2O3S — CID 1007879

IUPACN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3
InChIKeyJXFIVODFDDEJEA-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.95
Rot. Bonds5

About N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide

N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (PubChem CID 1007879) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
PubChem CID1007879
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
SMILESCC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3
InChIKeyJXFIVODFDDEJEA-UHFFFAOYSA-N
XLogP2.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propyl-pentanoic acid 4-sulfamoyl-benzylamide
CID 10946908
3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 670778
Sulfonamide deriv., 7c
CID 3433937
4-(4-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 26773685
4-(2-Methylpiperidine-1-carbonyl)benzenesulfonamide
CID 43235186
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
N-cyclohexyl-3-{4-[(isobutylamino)sulfonyl]phenyl}propanamide
CID 1210859
3-{4-[(isobutylamino)sulfonyl]phenyl}-N-(2-phenylethyl)propanamide
CID 1289346
1-(4-methylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 2450240
2-piperidin-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2697426
4-ethyl-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 2738684
Ethyl 4-(3-{4-[(isobutylamino)sulfonyl]phenyl}propanoyl)-1-piperazinecarboxylate
CID 2950527

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide (CID 1007879) is N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.
What is the InChIKey of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
The InChIKey is JXFIVODFDDEJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-15-11-13-21(14-12-15)18(22)10-7-16-5-8-17(9-6-16)25(23,24)20-19(2,3)4/h5-6,8-9,15,20H,7,10-14H2,1-4H3.
What are the key properties of N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide?
N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide has a molecular weight of 366.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 1007879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).