N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide

C13H19N3O4S — CID 15538712

IUPACN-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)CS(=O)(=O)N2C
InChIInChI=1S/C13H19N3O4S/c1-9(17)14-6-12(18)7-15-11-3-4-13-10(5-11)8-21(19,20)16(13)2/h3-5,12,15,18H,6-8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyCVLKGRJCUYRQPV-LBPRGKRZSA-N
MW313.38 g/mol
LogP-0.12
Rot. Bonds5

About N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide

N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide (PubChem CID 15538712) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide
PubChem CID15538712
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC NameN-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide
SMILESCC(=O)NC[C@H](O)CNc1ccc2c(c1)CS(=O)(=O)N2C
InChIInChI=1S/C13H19N3O4S/c1-9(17)14-6-12(18)7-15-11-3-4-13-10(5-11)8-21(19,20)16(13)2/h3-5,12,15,18H,6-8H2,1-2H3,(H,14,17)/t12-/m0/s1
InChIKeyCVLKGRJCUYRQPV-LBPRGKRZSA-N
XLogP-0.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide (CID 15538712) is N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide is CC(=O)NC[C@H](O)CNc1ccc2c(c1)CS(=O)(=O)N2C.
What is the InChIKey of N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide?
The InChIKey is CVLKGRJCUYRQPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9(17)14-6-12(18)7-15-11-3-4-13-10(5-11)8-21(19,20)16(13)2/h3-5,12,15,18H,6-8H2,1-2H3,(H,14,17)/t12-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide?
N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide is sourced from PubChem (CID 15538712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).