2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide

C12H20N4O3S2 — CID 124976249

IUPAC2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(C(N)=O)s2)C1
InChIInChI=1S/C12H20N4O3S2/c1-12(11-14-7-9(20-11)10(13)17)5-4-6-16(8-12)21(18,19)15(2)3/h7H,4-6,8H2,1-3H3,(H2,13,17)/t12-/m0/s1
InChIKeyLEAGRFIYANESRN-LBPRGKRZSA-N
MW332.45 g/mol
LogP0.40
Rot. Bonds4

About 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide

2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 124976249) has the molecular formula C12H20N4O3S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID124976249
Molecular FormulaC12H20N4O3S2
Molecular Weight332.45 g/mol
Exact Mass332.10
IUPAC Name2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(C(N)=O)s2)C1
InChIInChI=1S/C12H20N4O3S2/c1-12(11-14-7-9(20-11)10(13)17)5-4-6-16(8-12)21(18,19)15(2)3/h7H,4-6,8H2,1-3H3,(H2,13,17)/t12-/m0/s1
InChIKeyLEAGRFIYANESRN-LBPRGKRZSA-N
XLogP0.40
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 124976249) is 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide is CN(C)S(=O)(=O)N1CCC[C@](C)(c2ncc(C(N)=O)s2)C1.
What is the InChIKey of 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is LEAGRFIYANESRN-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N4O3S2/c1-12(11-14-7-9(20-11)10(13)17)5-4-6-16(8-12)21(18,19)15(2)3/h7H,4-6,8H2,1-3H3,(H2,13,17)/t12-/m0/s1.
What are the key properties of 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide?
2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-(dimethylsulfamoyl)-3-methylpiperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 124976249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).