2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline

C17H25N3O2S — CID 59771268

IUPAC2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline
SMILESCN1CC(c2ccc(N)c(C3=CCCCC3)c2)CN(C)S1(=O)=O
InChIInChI=1S/C17H25N3O2S/c1-19-11-15(12-20(2)23(19,21)22)14-8-9-17(18)16(10-14)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,11-12,18H2,1-2H3
InChIKeyXHBWEXDXGBMKSB-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.43
Rot. Bonds2

About 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline

2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline (PubChem CID 59771268) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline
PubChem CID59771268
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline
SMILESCN1CC(c2ccc(N)c(C3=CCCCC3)c2)CN(C)S1(=O)=O
InChIInChI=1S/C17H25N3O2S/c1-19-11-15(12-20(2)23(19,21)22)14-8-9-17(18)16(10-14)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,11-12,18H2,1-2H3
InChIKeyXHBWEXDXGBMKSB-UHFFFAOYSA-N
XLogP2.43
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline?
The IUPAC name of 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline (CID 59771268) is 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline.
What is the SMILES notation for 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline?
The canonical SMILES for 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline is CN1CC(c2ccc(N)c(C3=CCCCC3)c2)CN(C)S1(=O)=O.
What is the InChIKey of 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline?
The InChIKey is XHBWEXDXGBMKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-19-11-15(12-20(2)23(19,21)22)14-8-9-17(18)16(10-14)13-6-4-3-5-7-13/h6,8-10,15H,3-5,7,11-12,18H2,1-2H3.
What are the key properties of 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline?
2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline has a molecular weight of 335.47 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-4-(2,6-dimethyl-1,1-dioxo-1,2,6-thiadiazinan-4-yl)aniline is sourced from PubChem (CID 59771268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).