N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

C15H27N5O3S — CID 71806773

IUPACN-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-16-19(4)11-13/h10-12,17H,5-9H2,1-4H3,(H,18,21)
InChIKeySHZGOEPZWZYBEO-UHFFFAOYSA-N
MW357.48 g/mol
LogP0.92
Rot. Bonds4

About N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (PubChem CID 71806773) has the molecular formula C15H27N5O3S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
PubChem CID71806773
Molecular FormulaC15H27N5O3S
Molecular Weight357.48 g/mol
Exact Mass357.18
IUPAC NameN-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-16-19(4)11-13/h10-12,17H,5-9H2,1-4H3,(H,18,21)
InChIKeySHZGOEPZWZYBEO-UHFFFAOYSA-N
XLogP0.92
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
methyl 4-[(1-methyl-1H-pyrazole-4-sulfonamido)methyl]piperidine-1-carboxylate
CID 71806813
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
4-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921407
5-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-4-carbonyl}-1,5-diazacycloundecan-2-one
CID 110201741
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 164634403
1-((1-Methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247404
1-[1-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120709081
1-[1-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine
CID 120709082
1-[1-[1-(2,2-Difluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine
CID 120709130
N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120709740
N-methyl-1-[1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]methanamine
CID 120709741

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide (CID 71806773) is N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is Cn1cc(S(=O)(=O)NCC2CCN(C(=O)NC(C)(C)C)CC2)cn1.
What is the InChIKey of N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
The InChIKey is SHZGOEPZWZYBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3S/c1-15(2,3)18-14(21)20-7-5-12(6-8-20)9-17-24(22,23)13-10-16-19(4)11-13/h10-12,17H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 0.92, 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-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71806773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).