N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

C17H31N3O3S — CID 95710542

IUPACN-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCC[C@@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CCN1C(C)C
InChIInChI=1S/C17H31N3O3S/c1-6-15-11-19(9-10-20(15)14(2)3)13-17-8-7-16(23-17)12-18(4)24(5,21)22/h7-8,14-15H,6,9-13H2,1-5H3/t15-/m1/s1
InChIKeyWNZUDAUYAFQESD-OAHLLOKOSA-N
MW357.52 g/mol
LogP1.98
Rot. Bonds7

About N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide

N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (PubChem CID 95710542) has the molecular formula C17H31N3O3S and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
PubChem CID95710542
Molecular FormulaC17H31N3O3S
Molecular Weight357.52 g/mol
Exact Mass357.21
IUPAC NameN-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
SMILESCC[C@@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CCN1C(C)C
InChIInChI=1S/C17H31N3O3S/c1-6-15-11-19(9-10-20(15)14(2)3)13-17-8-7-16(23-17)12-18(4)24(5,21)22/h7-8,14-15H,6,9-13H2,1-5H3/t15-/m1/s1
InChIKeyWNZUDAUYAFQESD-OAHLLOKOSA-N
XLogP1.98
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide (CID 95710542) is N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is CC[C@@H]1CN(Cc2ccc(CN(C)S(C)(=O)=O)o2)CCN1C(C)C.
What is the InChIKey of N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
The InChIKey is WNZUDAUYAFQESD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H31N3O3S/c1-6-15-11-19(9-10-20(15)14(2)3)13-17-8-7-16(23-17)12-18(4)24(5,21)22/h7-8,14-15H,6,9-13H2,1-5H3/t15-/m1/s1.
What are the key properties of N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide?
N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide has a molecular weight of 357.52 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[(3R)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 95710542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).