3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine

C17H22N2S — CID 142894617

IUPAC3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
SMILESC=CC1=C(C=C)N(CCCN(C)C)c2ccccc2S1
InChIInChI=1S/C17H22N2S/c1-5-14-16(6-2)20-17-11-8-7-10-15(17)19(14)13-9-12-18(3)4/h5-8,10-11H,1-2,9,12-13H2,3-4H3
InChIKeyBVDYVLAHMVZULH-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.13
Rot. Bonds6

About 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine

3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine (PubChem CID 142894617) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
PubChem CID142894617
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine
SMILESC=CC1=C(C=C)N(CCCN(C)C)c2ccccc2S1
InChIInChI=1S/C17H22N2S/c1-5-14-16(6-2)20-17-11-8-7-10-15(17)19(14)13-9-12-18(3)4/h5-8,10-11H,1-2,9,12-13H2,3-4H3
InChIKeyBVDYVLAHMVZULH-UHFFFAOYSA-N
XLogP4.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(ethenyl)-4-(3-methylsulfinylpropyl)-1,4-benzothiazine
CID 169247927
2,3-bis(ethenyl)-4-(2-pyrrolidin-1-ylethyl)-1,4-benzothiazine
CID 91465268
N,N-dimethyl-3-pyrido[3,2-b][1,4]benzothiazin-10-ylpropan-1-amine;dihydrochloride
CID 71587927
N,N-dimethyl-2-phenothiazin-10-ylethanamine;iodomethane
CID 23622918
3-(2-methoxyphenothiazin-10-yl)-N,N-dimethylpropan-1-amine
CID 18847
2,3-bis(ethenyl)-1,4-benzothiazine-4-carbaldehyde
CID 143481394
3-[2-chloro-1-[2-chloro-10-[3-(dimethylamino)propyl]phenothiazin-1-yl]sulfinylphenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 57224843
(NZ)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-1-yl]ethylidene]hydroxylamine
CID 5361453
4-chloro-N-methyl-N-(3-phenothiazin-10-ylpropyl)butan-1-amine
CID 21150471
3-(2-chlorophenothiazin-10-yl)-N,N-bis(ethenyl)propan-1-amine
CID 163912126
3-[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenothiazin-10-yl]-N,N-dimethylpropan-1-amine
CID 10570197
(Z)-but-2-enedioate;1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one
CID 20838698

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine (CID 142894617) is 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine is C=CC1=C(C=C)N(CCCN(C)C)c2ccccc2S1.
What is the InChIKey of 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is BVDYVLAHMVZULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-5-14-16(6-2)20-17-11-8-7-10-15(17)19(14)13-9-12-18(3)4/h5-8,10-11H,1-2,9,12-13H2,3-4H3.
What are the key properties of 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine?
3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(ethenyl)-1,4-benzothiazin-4-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 142894617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).