(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

C18H26N4O2S — CID 3051692

IUPAC(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](CNS(=O)(=O)N(C)C)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C18H26N4O2S/c1-21(2)25(23,24)20-9-12-7-15-14-5-4-6-16-18(14)13(10-19-16)8-17(15)22(3)11-12/h4-6,10,12,15,17,19-20H,7-9,11H2,1-3H3/t12-,15?,17+/m0/s1
InChIKeyAWCFXRQDDNRJFB-CZZJGDGRSA-N
MW362.50 g/mol
LogP1.52
Rot. Bonds4

About (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline

(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (PubChem CID 3051692) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.

Molecular Properties

Compound Name(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
PubChem CID3051692
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
SMILESCN1C[C@H](CNS(=O)(=O)N(C)C)CC2c3cccc4[nH]cc(c34)C[C@H]21
InChIInChI=1S/C18H26N4O2S/c1-21(2)25(23,24)20-9-12-7-15-14-5-4-6-16-18(14)13(10-19-16)8-17(15)22(3)11-12/h4-6,10,12,15,17,19-20H,7-9,11H2,1-3H3/t12-,15?,17+/m0/s1
InChIKeyAWCFXRQDDNRJFB-CZZJGDGRSA-N
XLogP1.52
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The IUPAC name of (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline (CID 3051692) is (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
What is the SMILES notation for (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The canonical SMILES for (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is CN1C[C@H](CNS(=O)(=O)N(C)C)CC2c3cccc4[nH]cc(c34)C[C@H]21.
What is the InChIKey of (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
The InChIKey is AWCFXRQDDNRJFB-CZZJGDGRSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-21(2)25(23,24)20-9-12-7-15-14-5-4-6-16-18(14)13(10-19-16)8-17(15)22(3)11-12/h4-6,10,12,15,17,19-20H,7-9,11H2,1-3H3/t12-,15?,17+/m0/s1.
What are the key properties of (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline?
(6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline has a molecular weight of 362.50 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,9R)-9-[(dimethylsulfamoylamino)methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline is sourced from PubChem (CID 3051692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).