N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine

C16H27N3OS — CID 29087188

IUPACN,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine
SMILESCN(C)CC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCO1
InChIInChI=1S/C16H27N3OS/c1-18(2)8-7-13-11-19(9-10-20-13)12-16-17-14-5-3-4-6-15(14)21-16/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyVZTCIIOWZGCJKC-CYBMUJFWSA-N
MW309.48 g/mol
LogP2.17
Rot. Bonds5

About N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine

N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine (PubChem CID 29087188) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine
PubChem CID29087188
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine
SMILESCN(C)CC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCO1
InChIInChI=1S/C16H27N3OS/c1-18(2)8-7-13-11-19(9-10-20-13)12-16-17-14-5-3-4-6-15(14)21-16/h13H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyVZTCIIOWZGCJKC-CYBMUJFWSA-N
XLogP2.17
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine (CID 29087188) is N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine is CN(C)CC[C@@H]1CN(Cc2nc3c(s2)CCCC3)CCO1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine?
The InChIKey is VZTCIIOWZGCJKC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-18(2)8-7-13-11-19(9-10-20-13)12-16-17-14-5-3-4-6-15(14)21-16/h13H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine?
N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine has a molecular weight of 309.48 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)morpholin-2-yl]ethanamine is sourced from PubChem (CID 29087188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).