N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride

C14H23ClN2OS2 — CID 119608602

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1SCCc2sccc21.Cl
InChIInChI=1S/C14H22N2OS2.ClH/c1-9(2)14(3,8-15)16-13(17)12-10-4-6-18-11(10)5-7-19-12;/h4,6,9,12H,5,7-8,15H2,1-3H3,(H,16,17);1H
InChIKeyKDNJMHDJWPSSPH-UHFFFAOYSA-N
MW334.94 g/mol
LogP2.99
Rot. Bonds4

About N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride (PubChem CID 119608602) has the molecular formula C14H23ClN2OS2 and a molecular weight of 334.94 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride
PubChem CID119608602
Molecular FormulaC14H23ClN2OS2
Molecular Weight334.94 g/mol
Exact Mass334.09
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride
SMILESCC(C)C(C)(CN)NC(=O)C1SCCc2sccc21.Cl
InChIInChI=1S/C14H22N2OS2.ClH/c1-9(2)14(3,8-15)16-13(17)12-10-4-6-18-11(10)5-7-19-12;/h4,6,9,12H,5,7-8,15H2,1-3H3,(H,16,17);1H
InChIKeyKDNJMHDJWPSSPH-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.94
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 120653389
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119607023
N-(1-amino-2,4-dimethylpentan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119599956
4-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)butanoic acid
CID 119171053
(2R)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-3-phenylpropanoic acid
CID 119367191
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 120604699
(4R)-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 96563177
3-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)-2-phenylpropanoic acid
CID 119254980
4-[2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carbonylamino)ethyl]benzoic acid
CID 119168889
N-(1-amino-2-cyclopropylpropan-2-yl)-3,4-dihydro-1H-isothiochromene-1-carboxamide;hydrochloride
CID 119575505
N-[(1-hydroxycyclohexyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide
CID 111485874
[4-(1-aminoethyl)piperidin-1-yl]-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-yl)methanone
CID 119520461

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride (CID 119608602) is N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride is CC(C)C(C)(CN)NC(=O)C1SCCc2sccc21.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride?
The InChIKey is KDNJMHDJWPSSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS2.ClH/c1-9(2)14(3,8-15)16-13(17)12-10-4-6-18-11(10)5-7-19-12;/h4,6,9,12H,5,7-8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride has a molecular weight of 334.94 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-4-carboxamide;hydrochloride is sourced from PubChem (CID 119608602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).