2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline

C16H18N2O2S — CID 169095610

IUPAC2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline
SMILESO=S(O)NCc1ccc2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C16H18N2O2S/c19-21(20)17-11-12-6-8-16-14(10-12)7-9-15(18-16)13-4-2-1-3-5-13/h1-6,8,10,15,17-18H,7,9,11H2,(H,19,20)
InChIKeyRNKHAKNINQAKCL-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.01
Rot. Bonds4

About 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline

2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 169095610) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline
PubChem CID169095610
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline
SMILESO=S(O)NCc1ccc2c(c1)CCC(c1ccccc1)N2
InChIInChI=1S/C16H18N2O2S/c19-21(20)17-11-12-6-8-16-14(10-12)7-9-15(18-16)13-4-2-1-3-5-13/h1-6,8,10,15,17-18H,7,9,11H2,(H,19,20)
InChIKeyRNKHAKNINQAKCL-UHFFFAOYSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 164550250
(2S)-2-phenyl-1,2,3,4-tetrahydrobenzo[g]quinoline
CID 101474621
1-benzyl-3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]urea
CID 110775001
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
3-(1,2,3,4-tetrahydroquinolin-2-yl)benzamide
CID 164550217
6-bromo-2-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline
CID 132589767
(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 102250958
1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-3-phenylurea
CID 110774998
piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
CID 164550223
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
(2R)-2-(3,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 122382632
1-cyclohexyl-2-(2-phenyl-1,2,3,4-tetrahydroquinolin-6-yl)benzimidazole-5-carboxylic acid
CID 5275976

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline (CID 169095610) is 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline is O=S(O)NCc1ccc2c(c1)CCC(c1ccccc1)N2.
What is the InChIKey of 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is RNKHAKNINQAKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-21(20)17-11-12-6-8-16-14(10-12)7-9-15(18-16)13-4-2-1-3-5-13/h1-6,8,10,15,17-18H,7,9,11H2,(H,19,20).
What are the key properties of 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline?
2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 302.40 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-[(sulfinoamino)methyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 169095610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).