N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C22H29N3O3S — CID 56521199

IUPACN-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)NC4CS(=O)(=O)CC4N4CCCC4)cccc3c2C1
InChIInChI=1S/C22H29N3O3S/c1-14-7-8-18-17(11-14)15-5-4-6-16(21(15)23-18)22(26)24-19-12-29(27,28)13-20(19)25-9-2-3-10-25/h4-6,14,19-20,23H,2-3,7-13H2,1H3,(H,24,26)
InChIKeyGGCJQLATYRCKKI-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.28
Rot. Bonds3

About N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 56521199) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID56521199
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)NC4CS(=O)(=O)CC4N4CCCC4)cccc3c2C1
InChIInChI=1S/C22H29N3O3S/c1-14-7-8-18-17(11-14)15-5-4-6-16(21(15)23-18)22(26)24-19-12-29(27,28)13-20(19)25-9-2-3-10-25/h4-6,14,19-20,23H,2-3,7-13H2,1H3,(H,24,26)
InChIKeyGGCJQLATYRCKKI-UHFFFAOYSA-N
XLogP2.28
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 56521199) is N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)NC4CS(=O)(=O)CC4N4CCCC4)cccc3c2C1.
What is the InChIKey of N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is GGCJQLATYRCKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-14-7-8-18-17(11-14)15-5-4-6-16(21(15)23-18)22(26)24-19-12-29(27,28)13-20(19)25-9-2-3-10-25/h4-6,14,19-20,23H,2-3,7-13H2,1H3,(H,24,26).
What are the key properties of N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 415.56 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 56521199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).