3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide

C16H20N4O3S — CID 138013726

IUPAC3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCn1cc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C16H20N4O3S/c17-16(21)6-8-24(22,23)9-7-20-11-15(18-19-20)14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H2,17,21)
InChIKeyICDWWRZNTSAWDM-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.72
Rot. Bonds7

About 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide

3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide (PubChem CID 138013726) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide
PubChem CID138013726
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide
SMILESNC(=O)CCS(=O)(=O)CCn1cc(-c2ccc3c(c2)CCC3)nn1
InChIInChI=1S/C16H20N4O3S/c17-16(21)6-8-24(22,23)9-7-20-11-15(18-19-20)14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H2,17,21)
InChIKeyICDWWRZNTSAWDM-UHFFFAOYSA-N
XLogP0.72
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]-2-methylbutan-2-ol
CID 138056381
3-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 81445214
2-[6-(2,3-dihydro-1H-inden-5-yl)-1,2,4-triazin-3-yl]acetamide
CID 82381300
2-methyl-3-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazine-4-carboximidamide
CID 82443990
1-[2-(2,3-dihydro-1H-inden-5-ylsulfinyl)ethyl]triazole-4-carboxylic acid
CID 61303951
4-amino-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-3-one
CID 82467444
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
[7-[1-(2-methoxyethyl)triazol-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-methylborinic acid
CID 156679997
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethylsulfonyl]propanamide
CID 26509484
2-[4-(2,3-dihydro-1H-inden-5-yl)-2-methylimidazol-1-yl]acetic acid
CID 82299632
4-(2,3-dihydro-1H-inden-5-yl)imidazole-1,2-diamine
CID 82284524

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide (CID 138013726) is 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide is NC(=O)CCS(=O)(=O)CCn1cc(-c2ccc3c(c2)CCC3)nn1.
What is the InChIKey of 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide?
The InChIKey is ICDWWRZNTSAWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-16(21)6-8-24(22,23)9-7-20-11-15(18-19-20)14-5-4-12-2-1-3-13(12)10-14/h4-5,10-11H,1-3,6-9H2,(H2,17,21).
What are the key properties of 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide?
3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide has a molecular weight of 348.43 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dihydro-1H-inden-5-yl)triazol-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 138013726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).