5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

C9H17N5O4S2 — CID 60810285

IUPAC5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H17N5O4S2/c1-19(15,16)14-4-2-7(3-5-14)13-20(17,18)8-6-11-12-9(8)10/h6-7,13H,2-5H2,1H3,(H3,10,11,12)
InChIKeyATFHIEAZJYXFDS-UHFFFAOYSA-N
MW323.40 g/mol
LogP-1.31
Rot. Bonds4

About 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 60810285) has the molecular formula C9H17N5O4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID60810285
Molecular FormulaC9H17N5O4S2
Molecular Weight323.40 g/mol
Exact Mass323.07
IUPAC Name5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCS(=O)(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1
InChIInChI=1S/C9H17N5O4S2/c1-19(15,16)14-4-2-7(3-5-14)13-20(17,18)8-6-11-12-9(8)10/h6-7,13H,2-5H2,1H3,(H3,10,11,12)
InChIKeyATFHIEAZJYXFDS-UHFFFAOYSA-N
XLogP-1.31
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-1.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 60810285) is 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is CS(=O)(=O)N1CCC(NS(=O)(=O)c2cn[nH]c2N)CC1.
What is the InChIKey of 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is ATFHIEAZJYXFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4S2/c1-19(15,16)14-4-2-7(3-5-14)13-20(17,18)8-6-11-12-9(8)10/h6-7,13H,2-5H2,1H3,(H3,10,11,12).
What are the key properties of 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 323.40 g/mol, XLogP of -1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60810285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).