N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

C16H29N5O3S2 — CID 100582266

IUPACN-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC[C@@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C16H29N5O3S2/c1-4-13-8-5-6-10-21(13)11-7-9-17-26(23,24)16-20-19-15(25-16)18-14(22)12(2)3/h12-13,17H,4-11H2,1-3H3,(H,18,19,22)/t13-/m1/s1
InChIKeyKIMZPYCNAWPQST-CYBMUJFWSA-N
MW403.57 g/mol
LogP2.07
Rot. Bonds9

About N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide

N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (PubChem CID 100582266) has the molecular formula C16H29N5O3S2 and a molecular weight of 403.57 g/mol. Its IUPAC name is N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
PubChem CID100582266
Molecular FormulaC16H29N5O3S2
Molecular Weight403.57 g/mol
Exact Mass403.17
IUPAC NameN-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
SMILESCC[C@@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1
InChIInChI=1S/C16H29N5O3S2/c1-4-13-8-5-6-10-21(13)11-7-9-17-26(23,24)16-20-19-15(25-16)18-14(22)12(2)3/h12-13,17H,4-11H2,1-3H3,(H,18,19,22)/t13-/m1/s1
InChIKeyKIMZPYCNAWPQST-CYBMUJFWSA-N
XLogP2.07
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
N-[5-(cycloheptylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100713441
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
4-chloro-N-[5-(3-pyrrolidin-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100624419
2-ethyl-1-pentylpyrrolidine;methanesulfonic acid
CID 175584157
N-[5-(cyclohexylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100566485
methyl 4-[3-(2-ethylpiperidin-1-yl)propylsulfamoylmethyl]benzoate
CID 43885410
N-[5-[2-(aminomethyl)azepan-1-yl]sulfonyl-1,3,4-thiadiazol-2-yl]acetamide
CID 116640179
4-chloro-N-[5-[3-(3-methylpiperidin-1-yl)propylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133186811
(2R)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 100646941
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide (CID 100582266) is N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1nnc(NC(=O)C(C)C)s1.
What is the InChIKey of N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
The InChIKey is KIMZPYCNAWPQST-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N5O3S2/c1-4-13-8-5-6-10-21(13)11-7-9-17-26(23,24)16-20-19-15(25-16)18-14(22)12(2)3/h12-13,17H,4-11H2,1-3H3,(H,18,19,22)/t13-/m1/s1.
What are the key properties of N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide?
N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide has a molecular weight of 403.57 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 100582266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).