4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride

C14H20Cl2N2O2S — CID 120587543

IUPAC4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCSc2ccc(Cl)cc21.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-19-10(8-16)7-14(18)17-12-4-5-20-13-3-2-9(15)6-11(12)13;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyRMCBAAIOGLOKLF-UHFFFAOYSA-N
MW351.30 g/mol
LogP2.78
Rot. Bonds5

About 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride

4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride (PubChem CID 120587543) has the molecular formula C14H20Cl2N2O2S and a molecular weight of 351.30 g/mol. Its IUPAC name is 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
PubChem CID120587543
Molecular FormulaC14H20Cl2N2O2S
Molecular Weight351.30 g/mol
Exact Mass350.06
IUPAC Name4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)NC1CCSc2ccc(Cl)cc21.Cl
InChIInChI=1S/C14H19ClN2O2S.ClH/c1-19-10(8-16)7-14(18)17-12-4-5-20-13-3-2-9(15)6-11(12)13;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,18);1H
InChIKeyRMCBAAIOGLOKLF-UHFFFAOYSA-N
XLogP2.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 103154733
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxybutanamide
CID 47082557
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(methylamino)acetamide;hydrochloride
CID 119696427
4-amino-N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide
CID 120588965
6-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)hexanamide
CID 43709288
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylsulfanylpropanamide
CID 43045487
2-(butan-2-ylamino)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 60853386
4-amino-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide;hydrochloride
CID 120586516
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 46656521
3-(2-aminophenyl)-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 120608399
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide;hydrochloride
CID 119695826
2-bromo-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide
CID 43699787

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride (CID 120587543) is 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)NC1CCSc2ccc(Cl)cc21.Cl.
What is the InChIKey of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride?
The InChIKey is RMCBAAIOGLOKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S.ClH/c1-19-10(8-16)7-14(18)17-12-4-5-20-13-3-2-9(15)6-11(12)13;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride?
4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride has a molecular weight of 351.30 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).