tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate

C16H24N2O4S — CID 97176448

IUPACtert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H24N2O4S/c1-12-7-8-14(17-10-12)23(20,21)13-6-5-9-18(11-13)15(19)22-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m1/s1
InChIKeyIUJCOAPDTJECTJ-CYBMUJFWSA-N
MW340.45 g/mol
LogP2.56
Rot. Bonds2

About tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate (PubChem CID 97176448) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
PubChem CID97176448
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nametert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate
SMILESCc1ccc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1
InChIInChI=1S/C16H24N2O4S/c1-12-7-8-14(17-10-12)23(20,21)13-6-5-9-18(11-13)15(19)22-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m1/s1
InChIKeyIUJCOAPDTJECTJ-CYBMUJFWSA-N
XLogP2.56
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-(2-chloropyrimidin-4-yl)sulfonylpiperidine-1-carboxylate
CID 97171838
tert-butyl (3S)-3-quinoxalin-2-ylsulfonylpiperidine-1-carboxylate
CID 97171844
tert-butyl (3R)-3-(5-fluoropyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97171851
tert-butyl (3S)-3-(4-chloro-5-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176108
tert-butyl (3S)-3-(4-chloro-6-methylpyrimidin-2-yl)sulfonylpiperidine-1-carboxylate
CID 97176770
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 86317858
tert-butyl (3S)-3-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71634726
tert-butyl 3-[(5-methyl-2-pyridinyl)sulfanyl]piperidine-1-carboxylate
CID 66570313
tert-butyl (3R)-3-[2-[(5-methyl-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 97176758
tert-butyl (3S)-3-[(S)-(5-methyl-2-pyridinyl)sulfinyl]piperidine-1-carboxylate
CID 97176464
tert-butyl 3-(3-bromophenyl)sulfonylpiperidine-1-carboxylate
CID 53425159
tert-butyl (3R)-3-[[(R)-(5-methyl-2-pyridinyl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97176473

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate (CID 97176448) is tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate is Cc1ccc(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1.
What is the InChIKey of tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate?
The InChIKey is IUJCOAPDTJECTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12-7-8-14(17-10-12)23(20,21)13-6-5-9-18(11-13)15(19)22-16(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate has a molecular weight of 340.45 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(5-methyl-2-pyridinyl)sulfonyl]piperidine-1-carboxylate is sourced from PubChem (CID 97176448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).