1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline

C24H32N2O4S2 — CID 4624736

IUPAC1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC(C)S(=O)(=O)c1nc(-c2cc3c(c(S(=O)(=O)C(C)C)n2)CCCC3)cc2c1CCCC2
InChIInChI=1S/C24H32N2O4S2/c1-15(2)31(27,28)23-19-11-7-5-9-17(19)13-21(25-23)22-14-18-10-6-8-12-20(18)24(26-22)32(29,30)16(3)4/h13-16H,5-12H2,1-4H3
InChIKeyRQVRJPXFBCERJP-UHFFFAOYSA-N
MW476.66 g/mol
LogP4.27
Rot. Bonds5

About 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline

1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 4624736) has the molecular formula C24H32N2O4S2 and a molecular weight of 476.66 g/mol. Its IUPAC name is 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID4624736
Molecular FormulaC24H32N2O4S2
Molecular Weight476.66 g/mol
Exact Mass476.18
IUPAC Name1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline
SMILESCC(C)S(=O)(=O)c1nc(-c2cc3c(c(S(=O)(=O)C(C)C)n2)CCCC3)cc2c1CCCC2
InChIInChI=1S/C24H32N2O4S2/c1-15(2)31(27,28)23-19-11-7-5-9-17(19)13-21(25-23)22-14-18-10-6-8-12-20(18)24(26-22)32(29,30)16(3)4/h13-16H,5-12H2,1-4H3
InChIKeyRQVRJPXFBCERJP-UHFFFAOYSA-N
XLogP4.27
TPSA94.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.66
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline (CID 4624736) is 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline is CC(C)S(=O)(=O)c1nc(-c2cc3c(c(S(=O)(=O)C(C)C)n2)CCCC3)cc2c1CCCC2.
What is the InChIKey of 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is RQVRJPXFBCERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S2/c1-15(2)31(27,28)23-19-11-7-5-9-17(19)13-21(25-23)22-14-18-10-6-8-12-20(18)24(26-22)32(29,30)16(3)4/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline?
1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 476.66 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfonyl-3-(1-propan-2-ylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 4624736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).