tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate

C17H26N2O4S — CID 174864057

IUPACtert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cccc(NS(C)(=O)=O)c2)C1
InChIInChI=1S/C17H26N2O4S/c1-17(2,3)23-16(20)19-10-6-8-14(12-19)13-7-5-9-15(11-13)18-24(4,21)22/h5,7,9,11,14,18H,6,8,10,12H2,1-4H3
InChIKeyRJZGAIJIEKKERK-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate

tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate (PubChem CID 174864057) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
PubChem CID174864057
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Nametert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cccc(NS(C)(=O)=O)c2)C1
InChIInChI=1S/C17H26N2O4S/c1-17(2,3)23-16(20)19-10-6-8-14(12-19)13-7-5-9-15(11-13)18-24(4,21)22/h5,7,9,11,14,18H,6,8,10,12H2,1-4H3
InChIKeyRJZGAIJIEKKERK-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate
CID 169370645
tert-butyl 4-(3-acetamidophenyl)piperidine-1-carboxylate
CID 22049422
2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]anilino]ethanesulfonic acid
CID 174996743
tert-butyl 2-[[3-(methanesulfonamido)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 46404764
tert-butyl 3-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate
CID 57368635
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
3-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 175660564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate (CID 174864057) is tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cccc(NS(C)(=O)=O)c2)C1.
What is the InChIKey of tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate?
The InChIKey is RJZGAIJIEKKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-17(2,3)23-16(20)19-10-6-8-14(12-19)13-7-5-9-15(11-13)18-24(4,21)22/h5,7,9,11,14,18H,6,8,10,12H2,1-4H3.
What are the key properties of tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate?
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate has a molecular weight of 354.47 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 174864057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).