N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine

C14H16N2S — CID 10705478

IUPACN,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
SMILESCN(C)Cc1ccc2n1-c1ccccc1SC2
InChIInChI=1S/C14H16N2S/c1-15(2)9-11-7-8-12-10-17-14-6-4-3-5-13(14)16(11)12/h3-8H,9-10H2,1-2H3
InChIKeyWGRUUBKCTBBTLU-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.14
Rot. Bonds2

About N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine

N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine (PubChem CID 10705478) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
PubChem CID10705478
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC NameN,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine
SMILESCN(C)Cc1ccc2n1-c1ccccc1SC2
InChIInChI=1S/C14H16N2S/c1-15(2)9-11-7-8-12-10-17-14-6-4-3-5-13(14)16(11)12/h3-8H,9-10H2,1-2H3
InChIKeyWGRUUBKCTBBTLU-UHFFFAOYSA-N
XLogP3.14
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine (CID 10705478) is N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine is CN(C)Cc1ccc2n1-c1ccccc1SC2.
What is the InChIKey of N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
The InChIKey is WGRUUBKCTBBTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-15(2)9-11-7-8-12-10-17-14-6-4-3-5-13(14)16(11)12/h3-8H,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine?
N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine has a molecular weight of 244.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4H-pyrrolo[2,1-c][1,4]benzothiazin-1-yl)methanamine is sourced from PubChem (CID 10705478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).