N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

C14H24N2O6S2 — CID 133129408

IUPACN-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C14H24N2O6S2/c1-4-16(13-9-24(20,21)10-14(13)17)8-12-6-5-11(22-12)7-15(2)23(3,18)19/h5-6,13-14,17H,4,7-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyYVFKRAHCUMIFAE-ZIAGYGMSSA-N
MW380.49 g/mol
LogP-0.35
Rot. Bonds7

About N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 133129408) has the molecular formula C14H24N2O6S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID133129408
Molecular FormulaC14H24N2O6S2
Molecular Weight380.49 g/mol
Exact Mass380.11
IUPAC NameN-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C14H24N2O6S2/c1-4-16(13-9-24(20,21)10-14(13)17)8-12-6-5-11(22-12)7-15(2)23(3,18)19/h5-6,13-14,17H,4,7-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyYVFKRAHCUMIFAE-ZIAGYGMSSA-N
XLogP-0.35
TPSA108.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide with MolForge

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Related Compounds

(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656
(3R,4R)-4-[ethyl-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]amino]-1,1-dioxothiolan-3-ol
CID 46998402
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
(3R,4R)-4-[ethyl-[(4-pyrimidin-2-yloxyphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 46982113
(E)-3-[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]prop-2-enoic acid
CID 44754698
(3S,4S)-4-(dibutylamino)-1,1-dioxothiolan-3-ol
CID 126846726
N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 70716595
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
CID 99976614
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylpropanehydrazide
CID 102566397
(3S,4S)-4-(N-ethylanilino)-1,1-dioxothiolan-3-ol
CID 126846713
(3R,4R)-4-[methyl-[(4-methylphenyl)methyl]amino]-1,1-dioxothiolan-3-ol
CID 129365563

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (CID 133129408) is N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is CCN(Cc1ccc(CN(C)S(C)(=O)=O)o1)[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is YVFKRAHCUMIFAE-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H24N2O6S2/c1-4-16(13-9-24(20,21)10-14(13)17)8-12-6-5-11(22-12)7-15(2)23(3,18)19/h5-6,13-14,17H,4,7-10H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 380.49 g/mol, XLogP of -0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 133129408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).