N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide

C6H11N5O3S — CID 62946140

IUPACN-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)N1CCOCC1
InChIInChI=1S/C6H11N5O3S/c12-15(13,10-6-7-5-8-9-6)11-1-3-14-4-2-11/h5H,1-4H2,(H2,7,8,9,10)
InChIKeyJGROFWQAUKRWQN-UHFFFAOYSA-N
MW233.25 g/mol
LogP-1.21
Rot. Bonds3

About N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide

N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide (PubChem CID 62946140) has the molecular formula C6H11N5O3S and a molecular weight of 233.25 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide
PubChem CID62946140
Molecular FormulaC6H11N5O3S
Molecular Weight233.25 g/mol
Exact Mass233.06
IUPAC NameN-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ncn[nH]1)N1CCOCC1
InChIInChI=1S/C6H11N5O3S/c12-15(13,10-6-7-5-8-9-6)11-1-3-14-4-2-11/h5H,1-4H2,(H2,7,8,9,10)
InChIKeyJGROFWQAUKRWQN-UHFFFAOYSA-N
XLogP-1.21
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide (CID 62946140) is N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide is O=S(=O)(Nc1ncn[nH]1)N1CCOCC1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide?
The InChIKey is JGROFWQAUKRWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S/c12-15(13,10-6-7-5-8-9-6)11-1-3-14-4-2-11/h5H,1-4H2,(H2,7,8,9,10).
What are the key properties of N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide?
N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide has a molecular weight of 233.25 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 62946140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).