N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

C12H22N2O3S — CID 54972424

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)CCNC(C)C)o1
InChIInChI=1S/C12H22N2O3S/c1-10(2)13-7-8-18(15,16)14(4)9-12-6-5-11(3)17-12/h5-6,10,13H,7-9H2,1-4H3
InChIKeyISJJCLPSOPRFBZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP1.35
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54972424) has the molecular formula C12H22N2O3S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54972424
Molecular FormulaC12H22N2O3S
Molecular Weight274.39 g/mol
Exact Mass274.14
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
SMILESCc1ccc(CN(C)S(=O)(=O)CCNC(C)C)o1
InChIInChI=1S/C12H22N2O3S/c1-10(2)13-7-8-18(15,16)14(4)9-12-6-5-11(3)17-12/h5-6,10,13H,7-9H2,1-4H3
InChIKeyISJJCLPSOPRFBZ-UHFFFAOYSA-N
XLogP1.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
N-methyl-N-[(5-methylfuran-2-yl)methyl]-1-[(3S)-oxolan-3-yl]methanesulfonamide
CID 95318029
3-amino-N,2,5-trimethyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 79885779
2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
(2S)-2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 61146960
2-[[2-(dimethylamino)ethyl-sulfamoylamino]methyl]-5-methylfuran
CID 112686122
N-[[5-methyl-4-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-2-yl]methyl]propan-2-amine
CID 62420025
N-cyclopropyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 54872080
2,4,6-trichloro-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55871150

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide (CID 54972424) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide is Cc1ccc(CN(C)S(=O)(=O)CCNC(C)C)o1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is ISJJCLPSOPRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3S/c1-10(2)13-7-8-18(15,16)14(4)9-12-6-5-11(3)17-12/h5-6,10,13H,7-9H2,1-4H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 274.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 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]-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54972424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).