3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide

C9H15N5O4S — CID 62945639

IUPAC3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)Nc1ncn[nH]1
InChIInChI=1S/C9H15N5O4S/c15-8(12-9-10-7-11-13-9)1-6-19(16,17)14-2-4-18-5-3-14/h7H,1-6H2,(H2,10,11,12,13,15)
InChIKeyANGHIVCEMQYADN-UHFFFAOYSA-N
MW289.32 g/mol
LogP-1.20
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide (PubChem CID 62945639) has the molecular formula C9H15N5O4S and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
PubChem CID62945639
Molecular FormulaC9H15N5O4S
Molecular Weight289.32 g/mol
Exact Mass289.08
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)Nc1ncn[nH]1
InChIInChI=1S/C9H15N5O4S/c15-8(12-9-10-7-11-13-9)1-6-19(16,17)14-2-4-18-5-3-14/h7H,1-6H2,(H2,10,11,12,13,15)
InChIKeyANGHIVCEMQYADN-UHFFFAOYSA-N
XLogP-1.20
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982188
3-(4-morpholin-4-ylsulfonylphenyl)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 2330582
2-morpholin-4-yl-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 18873860
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511442
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 61004747
4-fluoro-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 2334782
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020
methyl 4-chloro-3-(3-morpholin-4-ylsulfonylpropanoylamino)benzoate
CID 110296154
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 115455306
N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
CID 66169421

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide (CID 62945639) is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide is O=C(CCS(=O)(=O)N1CCOCC1)Nc1ncn[nH]1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
The InChIKey is ANGHIVCEMQYADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O4S/c15-8(12-9-10-7-11-13-9)1-6-19(16,17)14-2-4-18-5-3-14/h7H,1-6H2,(H2,10,11,12,13,15).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide?
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide has a molecular weight of 289.32 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide is sourced from PubChem (CID 62945639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).