N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide

C12H17N3O4S — CID 70712732

IUPACN-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCn1ccnc1-c1ccc(CO)o1)S(C)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-14(20(2,17)18)7-8-15-6-5-13-12(15)11-4-3-10(9-16)19-11/h3-6,16H,7-9H2,1-2H3
InChIKeyWQSRCQBFCNPJLA-UHFFFAOYSA-N
MW299.35 g/mol
LogP0.53
Rot. Bonds6

About N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide

N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide (PubChem CID 70712732) has the molecular formula C12H17N3O4S and a molecular weight of 299.35 g/mol. Its IUPAC name is N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide
PubChem CID70712732
Molecular FormulaC12H17N3O4S
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC NameN-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide
SMILESCN(CCn1ccnc1-c1ccc(CO)o1)S(C)(=O)=O
InChIInChI=1S/C12H17N3O4S/c1-14(20(2,17)18)7-8-15-6-5-13-12(15)11-4-3-10(9-16)19-11/h3-6,16H,7-9H2,1-2H3
InChIKeyWQSRCQBFCNPJLA-UHFFFAOYSA-N
XLogP0.53
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide (CID 70712732) is N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide is CN(CCn1ccnc1-c1ccc(CO)o1)S(C)(=O)=O.
What is the InChIKey of N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
The InChIKey is WQSRCQBFCNPJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4S/c1-14(20(2,17)18)7-8-15-6-5-13-12(15)11-4-3-10(9-16)19-11/h3-6,16H,7-9H2,1-2H3.
What are the key properties of N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide?
N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[5-(hydroxymethyl)furan-2-yl]imidazol-1-yl]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70712732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).