2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide

C11H21N5O2S — CID 62883171

IUPAC2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
SMILESCCNC(C)(CCCSc1n[nH]c(=O)n1C)C(N)=O
InChIInChI=1S/C11H21N5O2S/c1-4-13-11(2,8(12)17)6-5-7-19-10-15-14-9(18)16(10)3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,18)
InChIKeyNYHDXWJWJYLLQP-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.17
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide

2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide (PubChem CID 62883171) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
PubChem CID62883171
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide
SMILESCCNC(C)(CCCSc1n[nH]c(=O)n1C)C(N)=O
InChIInChI=1S/C11H21N5O2S/c1-4-13-11(2,8(12)17)6-5-7-19-10-15-14-9(18)16(10)3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,18)
InChIKeyNYHDXWJWJYLLQP-UHFFFAOYSA-N
XLogP-0.17
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide (CID 62883171) is 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide is CCNC(C)(CCCSc1n[nH]c(=O)n1C)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide?
The InChIKey is NYHDXWJWJYLLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-4-13-11(2,8(12)17)6-5-7-19-10-15-14-9(18)16(10)3/h13H,4-7H2,1-3H3,(H2,12,17)(H,14,18).
What are the key properties of 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide?
2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide has a molecular weight of 287.39 g/mol, XLogP of -0.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]pentanamide is sourced from PubChem (CID 62883171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).