N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide

C15H25N3O2S — CID 110670077

IUPACN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-8-10-17(11-9-16)12-13-18(21(2,19)20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3
InChIKeyGIYBMGNOXGQPLU-UHFFFAOYSA-N
MW311.45 g/mol
LogP0.70
Rot. Bonds6

About N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide

N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide (PubChem CID 110670077) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
PubChem CID110670077
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
SMILESCN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-8-10-17(11-9-16)12-13-18(21(2,19)20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3
InChIKeyGIYBMGNOXGQPLU-UHFFFAOYSA-N
XLogP0.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)methanesulfonamide
CID 71918194
N-benzyl-N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethyl]methanesulfonamide
CID 100616340
N-benzyl-N-(2-hydroxyethyl)methanesulfonamide
CID 3329134
2-[benzyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]ethanol
CID 82853015
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110670033
N-benzyl-N-[2-(2-oxo-1,3,4-thiadiazol-3-yl)ethyl]methanesulfonamide
CID 99825117
N-benzyl-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 126784113
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
N-benzyl-N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]methanesulfonamide
CID 132972173
N-benzyl-N-(2-ethylsulfanylethyl)methanesulfonamide
CID 75448253
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclopentanecarboxamide
CID 110670044

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide (CID 110670077) is N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide is CN1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide?
The InChIKey is GIYBMGNOXGQPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-8-10-17(11-9-16)12-13-18(21(2,19)20)14-15-6-4-3-5-7-15/h3-7H,8-14H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide?
N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110670077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).