[(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate

About [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate

[(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate (PubChem CID 68789714) has the molecular formula C26H41N5O7S and a molecular weight of 567.71 g/mol. Its IUPAC name is [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate.

Molecular Properties

Compound Name	[(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate
PubChem CID	68789714
Molecular Formula	C26H41N5O7S
Molecular Weight	567.71 g/mol
Exact Mass	567.27
IUPAC Name	[(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate
SMILES	CC1CCCC(C)N1S(=O)(=O)NC(=O)C12CC1/C=C/CCCCCC(OC(N)=O)C(=O)N1CCCC1C(=O)N2
InChI	InChI=1S/C26H41N5O7S/c1-17-10-8-11-18(2)31(17)39(36,37)29-24(34)26-16-19(26)12-6-4-3-5-7-14-21(38-25(27)35)23(33)30-15-9-13-20(30)22(32)28-26/h6,12,17-21H,3-5,7-11,13-16H2,1-2H3,(H2,27,35)(H,28,32)(H,29,34)/b12-6+
InChIKey	DKMVNTSFGVHBBK-WUXMJOGZSA-N
XLogP	1.46
TPSA	168.21 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	4
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.71
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate?

The IUPAC name of [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate (CID 68789714) is [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate.

What is the SMILES notation for [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate?

The canonical SMILES for [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate is CC1CCCC(C)N1S(=O)(=O)NC(=O)C12CC1/C=C/CCCCCC(OC(N)=O)C(=O)N1CCCC1C(=O)N2.

What is the InChIKey of [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate?

The InChIKey is DKMVNTSFGVHBBK-WUXMJOGZSA-N. The full InChI is InChI=1S/C26H41N5O7S/c1-17-10-8-11-18(2)31(17)39(36,37)29-24(34)26-16-19(26)12-6-4-3-5-7-14-21(38-25(27)35)23(33)30-15-9-13-20(30)22(32)28-26/h6,12,17-21H,3-5,7-11,13-16H2,1-2H3,(H2,27,35)(H,28,32)(H,29,34)/b12-6+.

What are the key properties of [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate?

[(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate has a molecular weight of 567.71 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(7E)-4-[(2,6-dimethylpiperidin-1-yl)sulfonylcarbamoyl]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl] carbamate is sourced from PubChem (CID 68789714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).