N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C15H26N2O3S — CID 81042530

IUPACN-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H26N2O3S/c18-15(16-10-12-5-3-9-21(12,19)20)14-8-7-11-4-1-2-6-13(11)17-14/h11-14,17H,1-10H2,(H,16,18)
InChIKeyVWPXNHCPQQFERJ-UHFFFAOYSA-N
MW314.45 g/mol
LogP0.99
Rot. Bonds3

About N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 81042530) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID81042530
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESO=C(NCC1CCCS1(=O)=O)C1CCC2CCCCC2N1
InChIInChI=1S/C15H26N2O3S/c18-15(16-10-12-5-3-9-21(12,19)20)14-8-7-11-4-1-2-6-13(11)17-14/h11-14,17H,1-10H2,(H,16,18)
InChIKeyVWPXNHCPQQFERJ-UHFFFAOYSA-N
XLogP0.99
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]piperidine-2-carboxamide
CID 124592544
2-cyclohexyl-N-[(1,1-dioxothian-2-yl)methyl]cyclopropane-1-carboxamide
CID 127818138
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471973
N-(3,3,3-trifluoropropyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470195
N-[(1,1-dioxothiolan-2-yl)methyl]morpholine-3-carboxamide
CID 81039320
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470158
N-(2,2-dimethoxyethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471192
N-[2-oxo-2-(propan-2-ylamino)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471579
3-amino-N-[(1,1-dioxothiolan-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81039400
N-(2-hydroxy-4,4-dimethylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 107152829
4-(aminomethyl)-N-[(1,1-dioxothiolan-2-yl)methyl]cyclohexane-1-carboxamide
CID 81038381
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470587

Frequently Asked Questions

What is the IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 81042530) is N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is O=C(NCC1CCCS1(=O)=O)C1CCC2CCCCC2N1.
What is the InChIKey of N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is VWPXNHCPQQFERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c18-15(16-10-12-5-3-9-21(12,19)20)14-8-7-11-4-1-2-6-13(11)17-14/h11-14,17H,1-10H2,(H,16,18).
What are the key properties of N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 81042530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).