N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine

C15H21N3OS — CID 12515589

IUPACN,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine
SMILESCN(C)CCSC1(C)OCCn2c1nc1ccccc12
InChIInChI=1S/C15H21N3OS/c1-15(20-11-9-17(2)3)14-16-12-6-4-5-7-13(12)18(14)8-10-19-15/h4-7H,8-11H2,1-3H3
InChIKeyLFWUNBZZTVPTLN-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.53
Rot. Bonds4

About N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine

N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine (PubChem CID 12515589) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine
PubChem CID12515589
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine
SMILESCN(C)CCSC1(C)OCCn2c1nc1ccccc12
InChIInChI=1S/C15H21N3OS/c1-15(20-11-9-17(2)3)14-16-12-6-4-5-7-13(12)18(14)8-10-19-15/h4-7H,8-11H2,1-3H3
InChIKeyLFWUNBZZTVPTLN-UHFFFAOYSA-N
XLogP2.53
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.53
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-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine (CID 12515589) is N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine is CN(C)CCSC1(C)OCCn2c1nc1ccccc12.
What is the InChIKey of N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine?
The InChIKey is LFWUNBZZTVPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(20-11-9-17(2)3)14-16-12-6-4-5-7-13(12)18(14)8-10-19-15/h4-7H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine?
N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(1-methyl-3,4-dihydro-[1,4]oxazino[4,3-a]benzimidazol-1-yl)sulfanyl]ethanamine is sourced from PubChem (CID 12515589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).