N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

C14H24N4O3S — CID 47038239

IUPACN-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C14H24N4O3S/c1-14(2,3)16-13(19)11-5-7-18(8-6-11)22(20,21)12-9-15-17(4)10-12/h9-11H,5-8H2,1-4H3,(H,16,19)
InChIKeyDJWASUILIPDVMA-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.74
Rot. Bonds3

About N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide

N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (PubChem CID 47038239) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
PubChem CID47038239
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cn1
InChIInChI=1S/C14H24N4O3S/c1-14(2,3)16-13(19)11-5-7-18(8-6-11)22(20,21)12-9-15-17(4)10-12/h9-11H,5-8H2,1-4H3,(H,16,19)
InChIKeyDJWASUILIPDVMA-UHFFFAOYSA-N
XLogP0.74
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide (CID 47038239) is N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is Cn1cc(S(=O)(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cn1.
What is the InChIKey of N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DJWASUILIPDVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-14(2,3)16-13(19)11-5-7-18(8-6-11)22(20,21)12-9-15-17(4)10-12/h9-11H,5-8H2,1-4H3,(H,16,19).
What are the key properties of N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide?
N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 47038239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).