N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide

C14H22N3OS+ — CID 9205344

IUPACN-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NN2CC[NH+](C)CC2)cc1
InChIInChI=1S/C14H21N3OS/c1-16-7-9-17(10-8-16)15-14(18)13-5-3-12(4-6-13)11-19-2/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1
InChIKeySATHHPBSFPRNIV-UHFFFAOYSA-O
MW280.42 g/mol
LogP0.02
Rot. Bonds4

About N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide

N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide (PubChem CID 9205344) has the molecular formula C14H22N3OS+ and a molecular weight of 280.42 g/mol. Its IUPAC name is N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide
PubChem CID9205344
Molecular FormulaC14H22N3OS+
Molecular Weight280.42 g/mol
Exact Mass280.15
IUPAC NameN-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NN2CC[NH+](C)CC2)cc1
InChIInChI=1S/C14H21N3OS/c1-16-7-9-17(10-8-16)15-14(18)13-5-3-12(4-6-13)11-19-2/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1
InChIKeySATHHPBSFPRNIV-UHFFFAOYSA-O
XLogP0.02
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide 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-(4-methylpiperazin-4-ium-1-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9204936
3-methoxy-N-(4-methylpiperazin-4-ium-1-yl)-4-phenylmethoxybenzamide
CID 9204883
4-(methylsulfanylmethyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86988977
N-(4-methylpiperazin-4-ium-1-yl)-3-(trifluoromethyl)benzamide
CID 7346548
3-cyano-N-(4-methylpiperazin-4-ium-1-yl)benzamide
CID 9205107
4-(methoxymethyl)-N-(4-methylpiperazin-1-yl)benzamide
CID 9205030
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
N-benzyl-4-(methylsulfanylmethyl)benzamide
CID 2542193
N'-methyl-4-(methylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 9479963
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(methylsulfanylmethyl)benzamide
CID 18108018
N-(2-amino-2-oxoethoxy)-4-(methylsulfanylmethyl)benzamide
CID 112550855

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide (CID 9205344) is N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NN2CC[NH+](C)CC2)cc1.
What is the InChIKey of N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide?
The InChIKey is SATHHPBSFPRNIV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H21N3OS/c1-16-7-9-17(10-8-16)15-14(18)13-5-3-12(4-6-13)11-19-2/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1.
What are the key properties of N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide?
N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide has a molecular weight of 280.42 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-4-ium-1-yl)-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 9205344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).