N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

C16H28N4O2S — CID 122137381

IUPACN-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCCN(C(=O)NCCS(=O)C(C)(C)C)C2)c1
InChIInChI=1S/C16H28N4O2S/c1-13-10-18-20(11-13)14-6-5-8-19(12-14)15(21)17-7-9-23(22)16(2,3)4/h10-11,14H,5-9,12H2,1-4H3,(H,17,21)
InChIKeyZVBKEQBLDJYWQJ-UHFFFAOYSA-N
MW340.49 g/mol
LogP2.09
Rot. Bonds4

About N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (PubChem CID 122137381) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
PubChem CID122137381
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC NameN-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
SMILESCc1cnn(C2CCCN(C(=O)NCCS(=O)C(C)(C)C)C2)c1
InChIInChI=1S/C16H28N4O2S/c1-13-10-18-20(11-13)14-6-5-8-19(12-14)15(21)17-7-9-23(22)16(2,3)4/h10-11,14H,5-9,12H2,1-4H3,(H,17,21)
InChIKeyZVBKEQBLDJYWQJ-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124557774
2-amino-2-methyl-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 119881436
N-[(3-methylcyclohexyl)methyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 166202868
N-(2-tert-butylsulfinylethyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111432818
3-(4-methylpyrazol-1-yl)-1-[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]propan-1-one
CID 95289673
(3R)-N-[(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide
CID 124588249
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]methanone
CID 95284553
3-amino-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 119881484
4-amino-3-methoxy-1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]butan-1-one
CID 120596704
N-methyl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]cyclobutane-1-carboxamide
CID 95280605
(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 97073545
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide (CID 122137381) is N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is Cc1cnn(C2CCCN(C(=O)NCCS(=O)C(C)(C)C)C2)c1.
What is the InChIKey of N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
The InChIKey is ZVBKEQBLDJYWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13-10-18-20(11-13)14-6-5-8-19(12-14)15(21)17-7-9-23(22)16(2,3)4/h10-11,14H,5-9,12H2,1-4H3,(H,17,21).
What are the key properties of N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide?
N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide has a molecular weight of 340.49 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfinylethyl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 122137381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).