1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine

C24H30N2O5S — CID 10027190

IUPAC1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)c1
InChIInChI=1S/C24H30N2O5S/c1-25(2)15-16-7-6-8-21-24(16)19-13-17(29-3)9-11-20(19)26(21)32(27,28)23-14-18(30-4)10-12-22(23)31-5/h9-14,16H,6-8,15H2,1-5H3
InChIKeyFMMHFIJNISTTOF-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.89
Rot. Bonds7

About 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine

1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 10027190) has the molecular formula C24H30N2O5S and a molecular weight of 458.58 g/mol. Its IUPAC name is 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine
PubChem CID10027190
Molecular FormulaC24H30N2O5S
Molecular Weight458.58 g/mol
Exact Mass458.19
IUPAC Name1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)c1
InChIInChI=1S/C24H30N2O5S/c1-25(2)15-16-7-6-8-21-24(16)19-13-17(29-3)9-11-20(19)26(21)32(27,28)23-14-18(30-4)10-12-22(23)31-5/h9-14,16H,6-8,15H2,1-5H3
InChIKeyFMMHFIJNISTTOF-UHFFFAOYSA-N
XLogP3.89
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine (CID 10027190) is 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine is COc1ccc(OC)c(S(=O)(=O)n2c3c(c4cc(OC)ccc42)C(CN(C)C)CCC3)c1.
What is the InChIKey of 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is FMMHFIJNISTTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5S/c1-25(2)15-16-7-6-8-21-24(16)19-13-17(29-3)9-11-20(19)26(21)32(27,28)23-14-18(30-4)10-12-22(23)31-5/h9-14,16H,6-8,15H2,1-5H3.
What are the key properties of 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine?
1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 458.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-(2,5-dimethoxyphenyl)sulfonyl-6-methoxy-1,2,3,4-tetrahydrocarbazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10027190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).