tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate

C20H31N3O5S — CID 108563207

IUPACtert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O5S/c1-15-5-7-17(8-6-15)29(26,27)22-16-10-13-23(14-11-16)18(24)9-12-21-19(25)28-20(2,3)4/h5-8,16,22H,9-14H2,1-4H3,(H,21,25)
InChIKeyWIRJZCJDOIWWFT-UHFFFAOYSA-N
MW425.55 g/mol
LogP2.18
Rot. Bonds6

About tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate

tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate (PubChem CID 108563207) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
PubChem CID108563207
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC Nametert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate
SMILESCc1ccc(S(=O)(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H31N3O5S/c1-15-5-7-17(8-6-15)29(26,27)22-16-10-13-23(14-11-16)18(24)9-12-21-19(25)28-20(2,3)4/h5-8,16,22H,9-14H2,1-4H3,(H,21,25)
InChIKeyWIRJZCJDOIWWFT-UHFFFAOYSA-N
XLogP2.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-6-oxohexanoic acid
CID 139613522
tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108566573
N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 108565354
4-methyl-N-[1-[2-(2,3,6-trimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565225
4-methyl-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565478
tert-butyl 4-[(4-aminophenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256090
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
N-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823739
tert-butyl 4-[(4-methoxycarbonylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 53256088
4-tert-butyl-N-[1-(3-phenylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 108566073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate (CID 108563207) is tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate is Cc1ccc(S(=O)(=O)NC2CCN(C(=O)CCNC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
The InChIKey is WIRJZCJDOIWWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-15-5-7-17(8-6-15)29(26,27)22-16-10-13-23(14-11-16)18(24)9-12-21-19(25)28-20(2,3)4/h5-8,16,22H,9-14H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate has a molecular weight of 425.55 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-3-oxopropyl]carbamate is sourced from PubChem (CID 108563207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).