(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide

C15H24N2O5S — CID 124890479

IUPAC(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccco1
InChIInChI=1S/C15H24N2O5S/c1-12-10-17(6-9-23(19,20)11-12)15(18)16-13(5-8-21-2)14-4-3-7-22-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyUZXUSCMHHXPJKH-STQMWFEESA-N
MW344.43 g/mol
LogP1.43
Rot. Bonds5

About (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide

(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide (PubChem CID 124890479) has the molecular formula C15H24N2O5S and a molecular weight of 344.43 g/mol. Its IUPAC name is (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide.

Molecular Properties

Compound Name(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
PubChem CID124890479
Molecular FormulaC15H24N2O5S
Molecular Weight344.43 g/mol
Exact Mass344.14
IUPAC Name(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccco1
InChIInChI=1S/C15H24N2O5S/c1-12-10-17(6-9-23(19,20)11-12)15(18)16-13(5-8-21-2)14-4-3-7-22-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,16,18)/t12-,13-/m0/s1
InChIKeyUZXUSCMHHXPJKH-STQMWFEESA-N
XLogP1.43
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide with MolForge

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Related Compounds

1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-[[(1R)-1-(furan-2-yl)-2-methoxyethyl]amino]ethanone
CID 98888715
(6R)-6-methyl-1,1-dioxo-N-[(2R,3R)-3-phenylbutan-2-yl]-1,4-thiazepane-4-carboxamide
CID 124830042
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123432
N-[1-(furan-2-yl)-3-methoxypropyl]-3-pyridin-4-ylpropanamide
CID 75451734
3-bromo-N-[(1R)-1-(furan-2-yl)-3-methoxypropyl]thiophene-2-carboxamide
CID 129471505
1-[[1-(furan-2-yl)-4-methoxybutan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122009637
1-[(1S)-1-(furan-2-yl)-2-methoxyethyl]-3-[(3R,5R)-5-methyl-1-phenylpyrrolidin-3-yl]urea
CID 97091397
N-[1-(furan-2-yl)-2-(2-methylpropoxy)ethyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438580
(9aS)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885044
(6S)-N-[2-(1H-indol-3-yl)ethyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide
CID 129402017
1-(furan-2-yl)-2-(2-methoxyethoxyamino)ethanol
CID 82721538
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The IUPAC name of (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide (CID 124890479) is (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide.
What is the SMILES notation for (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The canonical SMILES for (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide is COCC[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H](C)C1)c1ccco1.
What is the InChIKey of (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide?
The InChIKey is UZXUSCMHHXPJKH-STQMWFEESA-N. The full InChI is InChI=1S/C15H24N2O5S/c1-12-10-17(6-9-23(19,20)11-12)15(18)16-13(5-8-21-2)14-4-3-7-22-14/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,16,18)/t12-,13-/m0/s1.
What are the key properties of (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide?
(6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide has a molecular weight of 344.43 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(1S)-1-(furan-2-yl)-3-methoxypropyl]-6-methyl-1,1-dioxo-1,4-thiazepane-4-carboxamide is sourced from PubChem (CID 124890479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).