tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate

C13H22N4O4S — CID 177048842

IUPACtert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H22N4O4S/c1-13(2,3)21-12(18)16-10-4-6-17(7-5-10)22(19,20)11-8-14-15-9-11/h8-10H,4-7H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyMOPZSUYZUDKAHI-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.09
Rot. Bonds3

About tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate (PubChem CID 177048842) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate
PubChem CID177048842
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Nametert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C13H22N4O4S/c1-13(2,3)21-12(18)16-10-4-6-17(7-5-10)22(19,20)11-8-14-15-9-11/h8-10H,4-7H2,1-3H3,(H,14,15)(H,16,18)
InChIKeyMOPZSUYZUDKAHI-UHFFFAOYSA-N
XLogP1.09
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate (CID 177048842) is tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate?
The InChIKey is MOPZSUYZUDKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-13(2,3)21-12(18)16-10-4-6-17(7-5-10)22(19,20)11-8-14-15-9-11/h8-10H,4-7H2,1-3H3,(H,14,15)(H,16,18).
What are the key properties of tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate has a molecular weight of 330.41 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 177048842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).