N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide

C16H22N4O3S2 — CID 122161792

IUPACN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-19(2)25(22,23)20-9-7-12(8-10-20)11-17-15(21)16-18-13-5-3-4-6-14(13)24-16/h3-6,12H,7-11H2,1-2H3,(H,17,21)
InChIKeyBALKMQCMWWLNTI-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.54
Rot. Bonds5

About N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide

N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide (PubChem CID 122161792) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
PubChem CID122161792
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC NameN-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1
InChIInChI=1S/C16H22N4O3S2/c1-19(2)25(22,23)20-9-7-12(8-10-20)11-17-15(21)16-18-13-5-3-4-6-14(13)24-16/h3-6,12H,7-11H2,1-2H3,(H,17,21)
InChIKeyBALKMQCMWWLNTI-UHFFFAOYSA-N
XLogP1.54
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 71786717
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 45173814
N-[(1-phenylpyrrolidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 73168222
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
CID 121109178
3-(2-bromophenyl)-N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]propanamide
CID 126853012
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-3,5-dimethoxybenzamide
CID 146079084
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122161827
N-[(5-methylpyrazolidin-3-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 74552021
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,6-dimethoxybenzamide
CID 121109264
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 121109207
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-1,3-benzothiazole-2-carboxamide
CID 2377381
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
CID 110488490

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The IUPAC name of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide (CID 122161792) is N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide is CN(C)S(=O)(=O)N1CCC(CNC(=O)c2nc3ccccc3s2)CC1.
What is the InChIKey of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
The InChIKey is BALKMQCMWWLNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-19(2)25(22,23)20-9-7-12(8-10-20)11-17-15(21)16-18-13-5-3-4-6-14(13)24-16/h3-6,12H,7-11H2,1-2H3,(H,17,21).
What are the key properties of N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide?
N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylsulfamoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 122161792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).