7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

C12H18N2O2S — CID 156572232

IUPAC7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCC(C)c1cc2c(c(S(N)(=O)=O)c1)CCNC2
InChIInChI=1S/C12H18N2O2S/c1-8(2)9-5-10-7-14-4-3-11(10)12(6-9)17(13,15)16/h5-6,8,14H,3-4,7H2,1-2H3,(H2,13,15,16)
InChIKeyNYLDOPIRQUUJAM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.10
Rot. Bonds2

About 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide

7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (PubChem CID 156572232) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.

Molecular Properties

Compound Name7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
PubChem CID156572232
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
SMILESCC(C)c1cc2c(c(S(N)(=O)=O)c1)CCNC2
InChIInChI=1S/C12H18N2O2S/c1-8(2)9-5-10-7-14-4-3-11(10)12(6-9)17(13,15)16/h5-6,8,14H,3-4,7H2,1-2H3,(H2,13,15,16)
InChIKeyNYLDOPIRQUUJAM-UHFFFAOYSA-N
XLogP1.10
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The IUPAC name of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide (CID 156572232) is 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide.
What is the SMILES notation for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The canonical SMILES for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is CC(C)c1cc2c(c(S(N)(=O)=O)c1)CCNC2.
What is the InChIKey of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
The InChIKey is NYLDOPIRQUUJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-8(2)9-5-10-7-14-4-3-11(10)12(6-9)17(13,15)16/h5-6,8,14H,3-4,7H2,1-2H3,(H2,13,15,16).
What are the key properties of 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide?
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide is sourced from PubChem (CID 156572232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).