N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide

C13H21N3O4S — CID 120569904

IUPACN-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide
SMILESCC1NCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1C
InChIInChI=1S/C13H21N3O4S/c1-9-10(2)16(7-6-14-9)13(17)12-5-4-11(20-12)8-15-21(3,18)19/h4-5,9-10,14-15H,6-8H2,1-3H3
InChIKeyXVBAKKPOQJCXQR-UHFFFAOYSA-N
MW315.40 g/mol
LogP0.15
Rot. Bonds4

About N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide

N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide (PubChem CID 120569904) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide
PubChem CID120569904
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC NameN-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide
SMILESCC1NCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1C
InChIInChI=1S/C13H21N3O4S/c1-9-10(2)16(7-6-14-9)13(17)12-5-4-11(20-12)8-15-21(3,18)19/h4-5,9-10,14-15H,6-8H2,1-3H3
InChIKeyXVBAKKPOQJCXQR-UHFFFAOYSA-N
XLogP0.15
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[2-(4-ethylphenyl)piperazine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
CID 120740627
N-[[5-[2-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]furan-2-yl]methyl]methanesulfonamide
CID 131960772
[4-(difluoromethylsulfonylmethyl)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572482
N-[[1-(5-ethylfuran-2-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 51079365
4-(2,3-dimethylpiperazine-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 120570714
4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120572157
(2,3-dimethylpiperazin-1-yl)-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone;hydrochloride
CID 120572033
(5,6-dimethyl-1-benzofuran-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120570438
5-(methanesulfonamidomethyl)-N-[(1S,3R)-3-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
CID 97222498
(2,3-dimethylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 120570068
5-(methanesulfonamidomethyl)-N-[(1S,2R)-2-methyl-2,3-dihydro-1H-inden-1-yl]furan-2-carboxamide
CID 97028290
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide (CID 120569904) is N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide is CC1NCCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1C.
What is the InChIKey of N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide?
The InChIKey is XVBAKKPOQJCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-9-10(2)16(7-6-14-9)13(17)12-5-4-11(20-12)8-15-21(3,18)19/h4-5,9-10,14-15H,6-8H2,1-3H3.
What are the key properties of N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide?
N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,3-dimethylpiperazine-1-carbonyl)furan-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 120569904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).