N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

C17H31N5O3S — CID 71806278

IUPACN-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C17H31N5O3S/c1-12-15(13(2)21(6)20-12)26(24,25)18-11-14-7-9-22(10-8-14)16(23)19-17(3,4)5/h14,18H,7-11H2,1-6H3,(H,19,23)
InChIKeyWSCVULMOPDZFQQ-UHFFFAOYSA-N
MW385.53 g/mol
LogP1.54
Rot. Bonds4

About N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (PubChem CID 71806278) has the molecular formula C17H31N5O3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
PubChem CID71806278
Molecular FormulaC17H31N5O3S
Molecular Weight385.53 g/mol
Exact Mass385.21
IUPAC NameN-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C17H31N5O3S/c1-12-15(13(2)21(6)20-12)26(24,25)18-11-14-7-9-22(10-8-14)16(23)19-17(3,4)5/h14,18H,7-11H2,1-6H3,(H,19,23)
InChIKeyWSCVULMOPDZFQQ-UHFFFAOYSA-N
XLogP1.54
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3239697
2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)-N-(3-methylbutan-2-yl)acetamide
CID 16273067
N-cyclohexyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3236901
N-cycloheptyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307483
1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247407
N-tert-butyl-3,5-dimethyl-1-(2-oxo-2-piperidin-1-ylethyl)pyrazole-4-sulfonamide
CID 8901168
N-butan-2-yl-2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetamide
CID 16254627
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806316
2-[3,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36659948
3,5-dimethyl-1-(propan-2-yl)-N-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-1H-pyrazole-4-sulfonamide
CID 137966487
N-[[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]sulfonylpiperidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 145891821
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 8168069

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (CID 71806278) is N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The InChIKey is WSCVULMOPDZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3S/c1-12-15(13(2)21(6)20-12)26(24,25)18-11-14-7-9-22(10-8-14)16(23)19-17(3,4)5/h14,18H,7-11H2,1-6H3,(H,19,23).
What are the key properties of N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71806278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).