N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C11H21N5O3S2 — CID 106141866

IUPACN-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(C)(C)CCCN)s1
InChIInChI=1S/C11H21N5O3S2/c1-8(17)14-9-15-16-10(20-9)21(18,19)13-7-11(2,3)5-4-6-12/h13H,4-7,12H2,1-3H3,(H,14,15,17)
InChIKeyVJAAOVZWUAOYPV-UHFFFAOYSA-N
MW335.46 g/mol
LogP0.54
Rot. Bonds8

About N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 106141866) has the molecular formula C11H21N5O3S2 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID106141866
Molecular FormulaC11H21N5O3S2
Molecular Weight335.46 g/mol
Exact Mass335.11
IUPAC NameN-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)NCC(C)(C)CCCN)s1
InChIInChI=1S/C11H21N5O3S2/c1-8(17)14-9-15-16-10(20-9)21(18,19)13-7-11(2,3)5-4-6-12/h13H,4-7,12H2,1-3H3,(H,14,15,17)
InChIKeyVJAAOVZWUAOYPV-UHFFFAOYSA-N
XLogP0.54
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 106141866) is N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)NCC(C)(C)CCCN)s1.
What is the InChIKey of N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is VJAAOVZWUAOYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O3S2/c1-8(17)14-9-15-16-10(20-9)21(18,19)13-7-11(2,3)5-4-6-12/h13H,4-7,12H2,1-3H3,(H,14,15,17).
What are the key properties of N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 335.46 g/mol, XLogP of 0.54, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-amino-2,2-dimethylpentyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 106141866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).