5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide

C9H17N5O3S — CID 54922848

IUPAC5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C9H17N5O3S/c10-9-8(7-11-13-9)18(15,16)12-1-2-14-3-5-17-6-4-14/h7,12H,1-6H2,(H3,10,11,13)
InChIKeyRJLFAFFKXRWMAM-UHFFFAOYSA-N
MW275.33 g/mol
LogP-1.40
Rot. Bonds5

About 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 54922848) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
PubChem CID54922848
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC Name5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C9H17N5O3S/c10-9-8(7-11-13-9)18(15,16)12-1-2-14-3-5-17-6-4-14/h7,12H,1-6H2,(H3,10,11,13)
InChIKeyRJLFAFFKXRWMAM-UHFFFAOYSA-N
XLogP-1.40
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide (CID 54922848) is 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is RJLFAFFKXRWMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c10-9-8(7-11-13-9)18(15,16)12-1-2-14-3-5-17-6-4-14/h7,12H,1-6H2,(H3,10,11,13).
What are the key properties of 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 275.33 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54922848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).