tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate

C23H30N2O4S — CID 169370645

IUPACtert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-7-13-21(14-8-17)30(27,28)24-20-11-9-18(10-12-20)19-6-5-15-25(16-19)22(26)29-23(2,3)4/h7-14,19,24H,5-6,15-16H2,1-4H3
InChIKeyQVHRJFXYIYLILQ-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.91
Rot. Bonds4

About tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate

tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate (PubChem CID 169370645) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate
PubChem CID169370645
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Nametert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1
InChIInChI=1S/C23H30N2O4S/c1-17-7-13-21(14-8-17)30(27,28)24-20-11-9-18(10-12-20)19-6-5-15-25(16-19)22(26)29-23(2,3)4/h7-14,19,24H,5-6,15-16H2,1-4H3
InChIKeyQVHRJFXYIYLILQ-UHFFFAOYSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylamino]piperidine-1-carboxylate
CID 169372481
2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]anilino]ethanesulfonic acid
CID 174996743
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636
tert-butyl 7-[(4-methylphenyl)sulfonylamino]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxylate
CID 169371783
tert-butyl 3-[4-(2,3-dihydroxypropylamino)phenyl]piperidine-1-carboxylate
CID 168597426
tert-butyl 3-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxylate
CID 168512802
tert-butyl 3-[3-(methanesulfonamido)phenyl]piperidine-1-carboxylate
CID 174864057
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3R,4R)-3,4-bis-(4-methylphenyl)sulfonyloxypiperidine-1-carboxylate
CID 125180404
tert-butyl 3-[4-(2-methoxy-2-oxoethoxy)phenyl]piperidine-1-carboxylate
CID 139730433
tert-butyl (3R)-3-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylate
CID 176562810

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate (CID 169370645) is tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate is Cc1ccc(S(=O)(=O)Nc2ccc(C3CCCN(C(=O)OC(C)(C)C)C3)cc2)cc1.
What is the InChIKey of tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate?
The InChIKey is QVHRJFXYIYLILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-7-13-21(14-8-17)30(27,28)24-20-11-9-18(10-12-20)19-6-5-15-25(16-19)22(26)29-23(2,3)4/h7-14,19,24H,5-6,15-16H2,1-4H3.
What are the key properties of tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate?
tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate has a molecular weight of 430.57 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[(4-methylphenyl)sulfonylamino]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 169370645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).