tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate

C16H24N2O3S — CID 97090536

IUPACtert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccsc2)C1
InChIInChI=1S/C16H24N2O3S/c1-15(2,3)21-14(20)18-8-5-7-16(4,11-18)13(19)17-12-6-9-22-10-12/h6,9-10H,5,7-8,11H2,1-4H3,(H,17,19)/t16-/m0/s1
InChIKeyQRHSULKBNDXXDQ-INIZCTEOSA-N
MW324.45 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate

tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 97090536) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID97090536
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nametert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccsc2)C1
InChIInChI=1S/C16H24N2O3S/c1-15(2,3)21-14(20)18-8-5-7-16(4,11-18)13(19)17-12-6-9-22-10-12/h6,9-10H,5,7-8,11H2,1-4H3,(H,17,19)/t16-/m0/s1
InChIKeyQRHSULKBNDXXDQ-INIZCTEOSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[[3-(cyclopropylcarbamoyl)phenyl]carbamoyl]-3-methylpiperidine-1-carboxylate
CID 97090535
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
1-O-tert-butyl 3-O-ethyl (3R)-3-methylpiperidine-1,3-dicarboxylate
CID 86306952
4-methyl-N-thiophen-3-ylpiperidine-4-carboxamide
CID 66352171
tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 86635224
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl (3S)-3-chloro-3-methylpiperidine-1-carboxylate
CID 97171665
tert-butyl (3R)-3-(methoxymethyl)-3-methylpiperidine-1-carboxylate
CID 129395641
tert-butyl 4-thiophen-3-ylpiperidine-1-carboxylate
CID 53426264
tert-butyl 4-[(3-carbamoylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 71911196
tert-butyl 3-[[(4-bromothiophen-2-yl)methylamino]methyl]-3-methylpiperidine-1-carboxylate
CID 107254661
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate (CID 97090536) is tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)Nc2ccsc2)C1.
What is the InChIKey of tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is QRHSULKBNDXXDQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-15(2,3)21-14(20)18-8-5-7-16(4,11-18)13(19)17-12-6-9-22-10-12/h6,9-10H,5,7-8,11H2,1-4H3,(H,17,19)/t16-/m0/s1.
What are the key properties of tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate?
tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-methyl-3-(thiophen-3-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 97090536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).