1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

C17H19ClN2OS — CID 70474456

IUPAC1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)N1c2ccccc2S(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2OS/c1-4-17(19(2)3)20-13-7-5-6-8-15(13)22(21)16-11-12(18)9-10-14(16)20/h5-11,17H,4H2,1-3H3
InChIKeyCRXBGNZTXVKUES-UHFFFAOYSA-N
MW334.87 g/mol
LogP4.26
Rot. Bonds3

About 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine

1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine (PubChem CID 70474456) has the molecular formula C17H19ClN2OS and a molecular weight of 334.87 g/mol. Its IUPAC name is 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
PubChem CID70474456
Molecular FormulaC17H19ClN2OS
Molecular Weight334.87 g/mol
Exact Mass334.09
IUPAC Name1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
SMILESCCC(N(C)C)N1c2ccccc2S(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H19ClN2OS/c1-4-17(19(2)3)20-13-7-5-6-8-15(13)22(21)16-11-12(18)9-10-14(16)20/h5-11,17H,4H2,1-3H3
InChIKeyCRXBGNZTXVKUES-UHFFFAOYSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.87
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine (CID 70474456) is 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine is CCC(N(C)C)N1c2ccccc2S(=O)c2cc(Cl)ccc21.
What is the InChIKey of 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is CRXBGNZTXVKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2OS/c1-4-17(19(2)3)20-13-7-5-6-8-15(13)22(21)16-11-12(18)9-10-14(16)20/h5-11,17H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine?
1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 334.87 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-oxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 70474456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).