8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline

C9H13N3O2S — CID 114959099

IUPAC8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
SMILESNS(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C9H13N3O2S/c10-15(13,14)12-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11-12H,4-6H2,(H2,10,13,14)
InChIKeyIRJUUZYOUWPJGS-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.05
Rot. Bonds2

About 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline

8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114959099) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
PubChem CID114959099
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
SMILESNS(=O)(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C9H13N3O2S/c10-15(13,14)12-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11-12H,4-6H2,(H2,10,13,14)
InChIKeyIRJUUZYOUWPJGS-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline (CID 114959099) is 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline is NS(=O)(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IRJUUZYOUWPJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c10-15(13,14)12-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11-12H,4-6H2,(H2,10,13,14).
What are the key properties of 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline?
8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 227.29 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 114959099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).