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

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

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Related Compounds

N-[[5-[[(3S)-3-ethylmorpholin-4-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 70716595
N-[[5-[[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 99971957
4-[[(3S)-3-ethyl-4-propan-2-ylpiperazin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 95715143
N-methyl-N-[[5-[[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]methyl]furan-2-yl]methyl]methanesulfonamide
CID 95403122
(2R)-4-[(3-chloro-5-fluorophenyl)methyl]-2-ethyl-1-propan-2-ylpiperazine
CID 95727734
N-methyl-N-[(5-methylfuran-2-yl)methyl]methanesulfonamide
CID 52524091
N-[2-[1-[[5-[[methyl(methylsulfonyl)amino]methyl]furan-2-yl]methyl]piperidin-2-yl]ethyl]acetamide
CID 70752311
N-[[5-[(3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl)methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 156609414
N-[[5-[[ethyl-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]methyl]furan-2-yl]methyl]-N-methylmethanesulfonamide
CID 133129408
1-[(5-ethylfuran-2-yl)methyl]-4-ethylsulfonylpiperazine
CID 75438528
[3-(dimethylamino)phenyl]-(3-ethyl-4-propan-2-ylpiperazin-1-yl)methanone
CID 70762011
N-methyl-N-[[5-[(4-oxo-2-pyridin-2-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-7-yl)methyl]furan-2-yl]methyl]methanesulfonamide
CID 136869355

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).