tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate

C14H21BrN2O4S2 — CID 71632034

IUPACtert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C14H21BrN2O4S2/c1-14(2,3)21-13(18)16-10-5-4-8-17(9-10)23(19,20)12-7-6-11(15)22-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyVVTBJLAPLVPJDL-UHFFFAOYSA-N
MW425.37 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate

tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate (PubChem CID 71632034) has the molecular formula C14H21BrN2O4S2 and a molecular weight of 425.37 g/mol. Its IUPAC name is tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate
PubChem CID71632034
Molecular FormulaC14H21BrN2O4S2
Molecular Weight425.37 g/mol
Exact Mass424.01
IUPAC Nametert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C14H21BrN2O4S2/c1-14(2,3)21-13(18)16-10-5-4-8-17(9-10)23(19,20)12-7-6-11(15)22-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyVVTBJLAPLVPJDL-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(3R)-1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-3-yl]carbamate
CID 97007657
tert-butyl N-(1-chlorosulfonylpiperidin-3-yl)carbamate
CID 175525054
tert-butyl N-[(3R)-1-(3-cyanophenyl)sulfonylpiperidin-3-yl]carbamate
CID 170855227
tert-butyl N-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71634480
tert-butyl N-[(3R)-1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 97176433
tert-butyl N-[(3R)-1-(4-bromo-2-methylphenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 90892616
ethyl (3S)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319201
ethyl (3R)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate
CID 1319204
(3R)-1-(5-bromothiophen-2-yl)sulfonyl-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine
CID 95354106
tert-butyl N-[(3S)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 129375288
N-(4-acetamidophenyl)-1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24629349
tert-butyl N-[1-[(3-chlorophenyl)methylsulfonyl]piperidin-3-yl]carbamate
CID 71632046

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate (CID 71632034) is tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)NC1CCCN(S(=O)(=O)c2ccc(Br)s2)C1.
What is the InChIKey of tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate?
The InChIKey is VVTBJLAPLVPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O4S2/c1-14(2,3)21-13(18)16-10-5-4-8-17(9-10)23(19,20)12-7-6-11(15)22-12/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate has a molecular weight of 425.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]carbamate is sourced from PubChem (CID 71632034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).