N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide

C12H19NO4S — CID 95318029

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)C[C@H]2CCOC2)o1
InChIInChI=1S/C12H19NO4S/c1-10-3-4-12(17-10)7-13(2)18(14,15)9-11-5-6-16-8-11/h3-4,11H,5-9H2,1-2H3/t11-/m0/s1
InChIKeyOTVRICMBHBBSFV-NSHDSACASA-N
MW273.35 g/mol
LogP1.39
Rot. Bonds5

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide (PubChem CID 95318029) has the molecular formula C12H19NO4S and a molecular weight of 273.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
PubChem CID95318029
Molecular FormulaC12H19NO4S
Molecular Weight273.35 g/mol
Exact Mass273.10
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)C[C@H]2CCOC2)o1
InChIInChI=1S/C12H19NO4S/c1-10-3-4-12(17-10)7-13(2)18(14,15)9-11-5-6-16-8-11/h3-4,11H,5-9H2,1-2H3/t11-/m0/s1
InChIKeyOTVRICMBHBBSFV-NSHDSACASA-N
XLogP1.39
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 43818351
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 54972424
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 61059064
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-(oxolan-3-ylmethyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 131660413
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3R)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 98777209
(3aS,6aR)-4-[(5-methylfuran-2-yl)methyl]-1-[[(3S)-oxolan-3-yl]methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 124521497
(2S)-2-(imidazol-1-ylmethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-1-sulfonamide
CID 129490471
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114424
3-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]cyclopentan-1-amine
CID 66009251
N-cyclopropyl-1-[(3R)-oxolan-3-yl]-N-(thiophen-3-ylmethyl)methanesulfonamide
CID 95317371

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide (CID 95318029) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide is Cc1ccc(CN(C)S(=O)(=O)C[C@H]2CCOC2)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
The InChIKey is OTVRICMBHBBSFV-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO4S/c1-10-3-4-12(17-10)7-13(2)18(14,15)9-11-5-6-16-8-11/h3-4,11H,5-9H2,1-2H3/t11-/m0/s1.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide has a molecular weight of 273.35 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide is sourced from PubChem (CID 95318029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).