5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide

C17H24N2O2S — CID 75443019

IUPAC5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC2CCSc3ccccc32)O1
InChIInChI=1S/C17H24N2O2S/c1-19(2)17(20)15-8-7-12(21-15)11-18-14-9-10-22-16-6-4-3-5-13(14)16/h3-6,12,14-15,18H,7-11H2,1-2H3
InChIKeyFFKVEEQUKSSWAT-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.45
Rot. Bonds4

About 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide

5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide (PubChem CID 75443019) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
PubChem CID75443019
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)C1CCC(CNC2CCSc3ccccc32)O1
InChIInChI=1S/C17H24N2O2S/c1-19(2)17(20)15-8-7-12(21-15)11-18-14-9-10-22-16-6-4-3-5-13(14)16/h3-6,12,14-15,18H,7-11H2,1-2H3
InChIKeyFFKVEEQUKSSWAT-UHFFFAOYSA-N
XLogP2.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-5-[[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxolane-2-carboxamide
CID 75515788
2-(3,4-dihydro-2H-thiochromen-4-ylamino)acetic acid
CID 43135138
5-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]oxolane-2-carboxylic acid
CID 103239441
N-(1,4-dioxan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54907300
N-[(4-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63462609
N-(oxan-3-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 54906970
N-[(2-methylcyclohexyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 63453791
N-[[1-(dimethylamino)cyclobutyl]methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 105415014
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-2-ethylbutanamide
CID 79810400
(2S,5S)-5-[[[(1S)-1-(1-benzothiophen-2-yl)ethyl]amino]methyl]-N,N-dimethyloxolane-2-carboxamide
CID 129429860
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-(2-methylpentyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740196

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide (CID 75443019) is 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide is CN(C)C(=O)C1CCC(CNC2CCSc3ccccc32)O1.
What is the InChIKey of 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is FFKVEEQUKSSWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19(2)17(20)15-8-7-12(21-15)11-18-14-9-10-22-16-6-4-3-5-13(14)16/h3-6,12,14-15,18H,7-11H2,1-2H3.
What are the key properties of 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide?
5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dihydro-2H-thiochromen-4-ylamino)methyl]-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 75443019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).