3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide

C10H19N5O3S — CID 106221658

IUPAC3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
SMILESNCCCc1cn(CCS(=O)(=O)CCC(N)=O)nn1
InChIInChI=1S/C10H19N5O3S/c11-4-1-2-9-8-15(14-13-9)5-7-19(17,18)6-3-10(12)16/h8H,1-7,11H2,(H2,12,16)
InChIKeyNNFUHYMACSKXCV-UHFFFAOYSA-N
MW289.36 g/mol
LogP-1.54
Rot. Bonds9

About 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide

3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide (PubChem CID 106221658) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
PubChem CID106221658
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide
SMILESNCCCc1cn(CCS(=O)(=O)CCC(N)=O)nn1
InChIInChI=1S/C10H19N5O3S/c11-4-1-2-9-8-15(14-13-9)5-7-19(17,18)6-3-10(12)16/h8H,1-7,11H2,(H2,12,16)
InChIKeyNNFUHYMACSKXCV-UHFFFAOYSA-N
XLogP-1.54
TPSA133.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[1-(2-ethylsulfonylethyl)triazol-4-yl]butan-1-amine
CID 113424701
3-[1-(2-methylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220688
3-[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]propan-1-amine
CID 106220819
3-[2-(4-formyltriazol-1-yl)ethylsulfonyl]propanamide
CID 66216596
3-(1-dodecyltriazol-4-yl)propanamide
CID 138710438
3-[1-(3-aminopropyl)triazol-4-yl]-N-methylpropanamide
CID 139444913
3-[2-[4-(1-hydroxyethyl)triazol-1-yl]ethylsulfonyl]propanamide
CID 81445214
4-(1-hexyltriazol-4-yl)butan-1-amine
CID 104539137
4-(1-nonyltriazol-4-yl)butan-1-amine
CID 104539136
4-(1-heptyltriazol-4-yl)butan-1-amine
CID 104539279
3-[1-(3-methylsulfonylpropyl)triazol-4-yl]propanoic acid
CID 107460770
2-[1-(3-aminopropyl)triazol-4-yl]acetic acid
CID 107461829

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide (CID 106221658) is 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide is NCCCc1cn(CCS(=O)(=O)CCC(N)=O)nn1.
What is the InChIKey of 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide?
The InChIKey is NNFUHYMACSKXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c11-4-1-2-9-8-15(14-13-9)5-7-19(17,18)6-3-10(12)16/h8H,1-7,11H2,(H2,12,16).
What are the key properties of 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide?
3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide has a molecular weight of 289.36 g/mol, XLogP of -1.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-aminopropyl)triazol-1-yl]ethylsulfonyl]propanamide is sourced from PubChem (CID 106221658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).