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

C10H17N5O4S — CID 60982188

IUPAC3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c16-10(11-7-9-12-8-13-14-9)1-6-20(17,18)15-2-4-19-5-3-15/h8H,1-7H2,(H,11,16)(H,12,13,14)
InChIKeyVFVYARSDDDHPKD-UHFFFAOYSA-N
MW303.34 g/mol
LogP-1.53
Rot. Bonds6

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

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 60982188) has the molecular formula C10H17N5O4S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID60982188
Molecular FormulaC10H17N5O4S
Molecular Weight303.34 g/mol
Exact Mass303.10
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESO=C(CCS(=O)(=O)N1CCOCC1)NCc1ncn[nH]1
InChIInChI=1S/C10H17N5O4S/c16-10(11-7-9-12-8-13-14-9)1-6-20(17,18)15-2-4-19-5-3-15/h8H,1-7H2,(H,11,16)(H,12,13,14)
InChIKeyVFVYARSDDDHPKD-UHFFFAOYSA-N
XLogP-1.53
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 5-1.53
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-yl)propanamide
CID 62945639
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 61004747
N-methyl-3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64511442
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020
6-oxo-6-(1H-1,2,4-triazol-5-ylmethylamino)hexanoic acid
CID 60978215
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885192
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 115455306
N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-1-carboxamide
CID 78973043
N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110425662
3-pyrazol-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982939

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 60982188) is 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is O=C(CCS(=O)(=O)N1CCOCC1)NCc1ncn[nH]1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is VFVYARSDDDHPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4S/c16-10(11-7-9-12-8-13-14-9)1-6-20(17,18)15-2-4-19-5-3-15/h8H,1-7H2,(H,11,16)(H,12,13,14).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 303.34 g/mol, XLogP of -1.53, 6 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-ylmethyl)propanamide is sourced from PubChem (CID 60982188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).