1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine

C15H18N2O2S — CID 81039352

IUPAC1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
SMILESO=S1(=O)CCCC1CNCc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2S/c18-20(19)9-3-5-14(20)11-16-10-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14,16H,3,5,9-11H2
InChIKeyXCZGOCHVUCGANP-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.90
Rot. Bonds4

About 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine

1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine (PubChem CID 81039352) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
PubChem CID81039352
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine
SMILESO=S1(=O)CCCC1CNCc1ccc2ccccc2n1
InChIInChI=1S/C15H18N2O2S/c18-20(19)9-3-5-14(20)11-16-10-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14,16H,3,5,9-11H2
InChIKeyXCZGOCHVUCGANP-UHFFFAOYSA-N
XLogP1.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-(quinolin-2-ylmethyl)methanamine
CID 43216158
1-(1,1-dioxothiolan-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 81043351
1-(4-ethylcyclohexyl)-N-(quinolin-2-ylmethyl)methanamine
CID 63491346
1-(1,1-dioxothiolan-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 81038527
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
1-(2,2-dimethylcyclopropyl)-N-(quinolin-2-ylmethyl)methanamine
CID 103699442
N-(quinolin-2-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79352821
3-cyclopentyl-N-(quinolin-2-ylmethyl)propan-1-amine
CID 103698449
trans-(1S,2S)-1-N,2-N-bis(quinolin-2-ylmethyl)cyclohexane-1,2-diamine
CID 70905536
N-(quinolin-2-ylmethyl)cyclohexanamine
CID 28774764
N-cyclopropyl-2-(quinolin-2-ylmethylamino)acetamide
CID 43401916
1-cyclopropyl-2-(quinolin-2-ylmethylamino)ethanol
CID 63298862

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine?
The IUPAC name of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine (CID 81039352) is 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine is O=S1(=O)CCCC1CNCc1ccc2ccccc2n1.
What is the InChIKey of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine?
The InChIKey is XCZGOCHVUCGANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-20(19)9-3-5-14(20)11-16-10-13-8-7-12-4-1-2-6-15(12)17-13/h1-2,4,6-8,14,16H,3,5,9-11H2.
What are the key properties of 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine?
1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine has a molecular weight of 290.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-2-yl)-N-(quinolin-2-ylmethyl)methanamine is sourced from PubChem (CID 81039352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).