2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

C15H19N3O4S2 — CID 99938799

IUPAC2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2s1
InChIInChI=1S/C15H19N3O4S2/c1-10-17-13-4-3-11(7-14(13)23-10)15(19)16-8-12-9-18(5-6-22-12)24(2,20)21/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyFNPONECNFYUCHK-GFCCVEGCSA-N
MW369.47 g/mol
LogP0.99
Rot. Bonds4

About 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide

2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 99938799) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
PubChem CID99938799
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC Name2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2ccc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2s1
InChIInChI=1S/C15H19N3O4S2/c1-10-17-13-4-3-11(7-14(13)23-10)15(19)16-8-12-9-18(5-6-22-12)24(2,20)21/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyFNPONECNFYUCHK-GFCCVEGCSA-N
XLogP0.99
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
N-ethyl-2-methyl-1,3-benzothiazole-6-carboxamide;molecular hydrogen
CID 155749287
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide (CID 99938799) is 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is Cc1nc2ccc(C(=O)NC[C@@H]3CN(S(C)(=O)=O)CCO3)cc2s1.
What is the InChIKey of 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FNPONECNFYUCHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-17-13-4-3-11(7-14(13)23-10)15(19)16-8-12-9-18(5-6-22-12)24(2,20)21/h3-4,7,12H,5-6,8-9H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide?
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 99938799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).