N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

C12H24N6O3S — CID 112520147

IUPACN-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H24N6O3S/c1-4-17(5-2)8-6-7-13-12(19)10-18-9-11(14-16-18)15-22(3,20)21/h9,15H,4-8,10H2,1-3H3,(H,13,19)
InChIKeyFYDDEXFAELPHNQ-UHFFFAOYSA-N
MW332.43 g/mol
LogP-0.50
Rot. Bonds10

About N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide

N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (PubChem CID 112520147) has the molecular formula C12H24N6O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
PubChem CID112520147
Molecular FormulaC12H24N6O3S
Molecular Weight332.43 g/mol
Exact Mass332.16
IUPAC NameN-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
SMILESCCN(CC)CCCNC(=O)Cn1cc(NS(C)(=O)=O)nn1
InChIInChI=1S/C12H24N6O3S/c1-4-17(5-2)8-6-7-13-12(19)10-18-9-11(14-16-18)15-22(3,20)21/h9,15H,4-8,10H2,1-3H3,(H,13,19)
InChIKeyFYDDEXFAELPHNQ-UHFFFAOYSA-N
XLogP-0.50
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide (CID 112520147) is N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is CCN(CC)CCCNC(=O)Cn1cc(NS(C)(=O)=O)nn1.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
The InChIKey is FYDDEXFAELPHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O3S/c1-4-17(5-2)8-6-7-13-12(19)10-18-9-11(14-16-18)15-22(3,20)21/h9,15H,4-8,10H2,1-3H3,(H,13,19).
What are the key properties of N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide?
N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide has a molecular weight of 332.43 g/mol, XLogP of -0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-[4-(methanesulfonamido)triazol-1-yl]acetamide is sourced from PubChem (CID 112520147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).