4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide

C11H18N2O2S2 — CID 114162956

IUPAC4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-7-8(12)4-9(17-7)10(14)13-5-11(2,15)6-16-3/h4,15H,5-6,12H2,1-3H3,(H,13,14)
InChIKeyCQXSJGHFPURRBH-UHFFFAOYSA-N
MW274.41 g/mol
LogP1.48
Rot. Bonds5

About 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide

4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide (PubChem CID 114162956) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
PubChem CID114162956
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide
SMILESCSCC(C)(O)CNC(=O)c1cc(N)c(C)s1
InChIInChI=1S/C11H18N2O2S2/c1-7-8(12)4-9(17-7)10(14)13-5-11(2,15)6-16-3/h4,15H,5-6,12H2,1-3H3,(H,13,14)
InChIKeyCQXSJGHFPURRBH-UHFFFAOYSA-N
XLogP1.48
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-methyl-N-(3-methylsulfanylpropyl)thiophene-2-carboxamide
CID 63982394
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thieno[3,2-b]thiophene-5-carboxamide
CID 113239558
4-bromo-N-[(2R)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]thiophene-2-carboxamide
CID 99695648
N-(2-hydroxy-2-methylbutyl)-4,5-dimethylthiophene-2-carboxamide
CID 65112566
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024
3-amino-4-(dimethylamino)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 106242390
4-amino-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 61090653
N-(2-hydroxy-2,4-dimethylpentyl)-4,5-dimethylthiophene-2-carboxamide
CID 66178965
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,3-dimethylbenzamide
CID 103682088
2-(2-fluorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1,3-thiazole-5-carboxamide
CID 111436261
4-amino-N-(3-hydroxybutyl)-5-methylthiophene-2-carboxamide
CID 64929974
3-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzamide
CID 103773567

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide?
The IUPAC name of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide (CID 114162956) is 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide is CSCC(C)(O)CNC(=O)c1cc(N)c(C)s1.
What is the InChIKey of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide?
The InChIKey is CQXSJGHFPURRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c1-7-8(12)4-9(17-7)10(14)13-5-11(2,15)6-16-3/h4,15H,5-6,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide?
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 114162956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).