N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

C18H22N2O4S — CID 29257379

IUPACN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCN(C(=O)c1ccc2c3c([nH]c2c1)CCCC3)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C18H22N2O4S/c1-20(16-9-25(23,24)10-17(16)21)18(22)11-6-7-13-12-4-2-3-5-14(12)19-15(13)8-11/h6-8,16-17,19,21H,2-5,9-10H2,1H3/t16-,17-/m1/s1
InChIKeyAKQZWGOIJVVQNR-IAGOWNOFSA-N
MW362.45 g/mol
LogP1.28
Rot. Bonds2

About N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide

N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (PubChem CID 29257379) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
PubChem CID29257379
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide
SMILESCN(C(=O)c1ccc2c3c([nH]c2c1)CCCC3)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C18H22N2O4S/c1-20(16-9-25(23,24)10-17(16)21)18(22)11-6-7-13-12-4-2-3-5-14(12)19-15(13)8-11/h6-8,16-17,19,21H,2-5,9-10H2,1H3/t16-,17-/m1/s1
InChIKeyAKQZWGOIJVVQNR-IAGOWNOFSA-N
XLogP1.28
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.28
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-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide (CID 29257379) is N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is CN(C(=O)c1ccc2c3c([nH]c2c1)CCCC3)[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
The InChIKey is AKQZWGOIJVVQNR-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-20(16-9-25(23,24)10-17(16)21)18(22)11-6-7-13-12-4-2-3-5-14(12)19-15(13)8-11/h6-8,16-17,19,21H,2-5,9-10H2,1H3/t16-,17-/m1/s1.
What are the key properties of N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide?
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N-methyl-6,7,8,9-tetrahydro-5H-carbazole-2-carboxamide is sourced from PubChem (CID 29257379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).