[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate

C10H16N4O4S — CID 174231771

IUPAC[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate
SMILESCn1cc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cn1
InChIInChI=1S/C10H16N4O4S/c1-13-7-9(6-12-13)19(16,17)14-4-2-8(3-5-14)18-10(11)15/h6-8H,2-5H2,1H3,(H2,11,15)
InChIKeyMJHUAWNDIWLTTP-UHFFFAOYSA-N
MW288.33 g/mol
LogP-0.33
Rot. Bonds3

About [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate

[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate (PubChem CID 174231771) has the molecular formula C10H16N4O4S and a molecular weight of 288.33 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate
PubChem CID174231771
Molecular FormulaC10H16N4O4S
Molecular Weight288.33 g/mol
Exact Mass288.09
IUPAC Name[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate
SMILESCn1cc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cn1
InChIInChI=1S/C10H16N4O4S/c1-13-7-9(6-12-13)19(16,17)14-4-2-8(3-5-14)18-10(11)15/h6-8H,2-5H2,1H3,(H2,11,15)
InChIKeyMJHUAWNDIWLTTP-UHFFFAOYSA-N
XLogP-0.33
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate?
The IUPAC name of [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate (CID 174231771) is [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate.
What is the SMILES notation for [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate?
The canonical SMILES for [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate is Cn1cc(S(=O)(=O)N2CCC(OC(N)=O)CC2)cn1.
What is the InChIKey of [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate?
The InChIKey is MJHUAWNDIWLTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4S/c1-13-7-9(6-12-13)19(16,17)14-4-2-8(3-5-14)18-10(11)15/h6-8H,2-5H2,1H3,(H2,11,15).
What are the key properties of [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate?
[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate has a molecular weight of 288.33 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl] carbamate is sourced from PubChem (CID 174231771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).