N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide

C14H23N3O4S — CID 95403122

IUPACN-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide
SMILESC[C@@H]1CNC(=O)CCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C14H23N3O4S/c1-11-8-15-14(18)6-7-17(11)10-13-5-4-12(21-13)9-16(2)22(3,19)20/h4-5,11H,6-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyIFAXBAIFOUHVKE-LLVKDONJSA-N
MW329.42 g/mol
LogP0.38
Rot. Bonds5

About N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide

N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide (PubChem CID 95403122) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide
PubChem CID95403122
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC NameN-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide
SMILESC[C@@H]1CNC(=O)CCN1Cc1ccc(CN(C)S(C)(=O)=O)o1
InChIInChI=1S/C14H23N3O4S/c1-11-8-15-14(18)6-7-17(11)10-13-5-4-12(21-13)9-16(2)22(3,19)20/h4-5,11H,6-10H2,1-3H3,(H,15,18)/t11-/m1/s1
InChIKeyIFAXBAIFOUHVKE-LLVKDONJSA-N
XLogP0.38
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide (CID 95403122) is N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide is C[C@@H]1CNC(=O)CCN1Cc1ccc(CN(C)S(C)(=O)=O)o1.
What is the InChIKey of N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide?
The InChIKey is IFAXBAIFOUHVKE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-11-8-15-14(18)6-7-17(11)10-13-5-4-12(21-13)9-16(2)22(3,19)20/h4-5,11H,6-10H2,1-3H3,(H,15,18)/t11-/m1/s1.
What are the key properties of N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide?
N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 95403122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).