N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

C17H24N2O3S — CID 126799361

IUPACN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)15-11(4-5-14(20)19-15)18-16(21)13-8-10-9-22-7-6-12(10)23-13/h8,11,15H,4-7,9H2,1-3H3,(H,18,21)(H,19,20)/t11-,15-/m1/s1
InChIKeyUCTNGECOPLQQBI-IAQYHMDHSA-N
MW336.46 g/mol
LogP2.24
Rot. Bonds2

About N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (PubChem CID 126799361) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
PubChem CID126799361
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
SMILESCC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C17H24N2O3S/c1-17(2,3)15-11(4-5-14(20)19-15)18-16(21)13-8-10-9-22-7-6-12(10)23-13/h8,11,15H,4-7,9H2,1-3H3,(H,18,21)(H,19,20)/t11-,15-/m1/s1
InChIKeyUCTNGECOPLQQBI-IAQYHMDHSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide with MolForge

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Related Compounds

N-pyrrolidin-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119453037
N-(1-amino-2,3-dimethylbutan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119608083
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111478893
6,7-dihydro-4H-thieno[3,2-c]pyran-2-yl-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286891
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-[(1,1-dioxothiolan-2-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 127500320
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 128529141
N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The IUPAC name of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide (CID 126799361) is N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide.
What is the SMILES notation for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The canonical SMILES for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
The InChIKey is UCTNGECOPLQQBI-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-17(2,3)15-11(4-5-14(20)19-15)18-16(21)13-8-10-9-22-7-6-12(10)23-13/h8,11,15H,4-7,9H2,1-3H3,(H,18,21)(H,19,20)/t11-,15-/m1/s1.
What are the key properties of N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide?
N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide is sourced from PubChem (CID 126799361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).