2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C13H21N3O2S2 — CID 62752126

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCS(=O)(=O)CC3)sc21
InChIInChI=1S/C13H21N3O2S2/c1-2-14-10-4-3-5-11-12(10)19-13(15-11)16-6-8-20(17,18)9-7-16/h10,14H,2-9H2,1H3
InChIKeyNSVOJSRXMQHCEN-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.36
Rot. Bonds3

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 62752126) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID62752126
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCCNC1CCCc2nc(N3CCS(=O)(=O)CC3)sc21
InChIInChI=1S/C13H21N3O2S2/c1-2-14-10-4-3-5-11-12(10)19-13(15-11)16-6-8-20(17,18)9-7-16/h10,14H,2-9H2,1H3
InChIKeyNSVOJSRXMQHCEN-UHFFFAOYSA-N
XLogP1.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 62752126) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CCNC1CCCc2nc(N3CCS(=O)(=O)CC3)sc21.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is NSVOJSRXMQHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-2-14-10-4-3-5-11-12(10)19-13(15-11)16-6-8-20(17,18)9-7-16/h10,14H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 315.46 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 62752126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).