N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide

C12H27N3O2S — CID 110403684

IUPACN-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
SMILESCC(C)CC(CNS(C)(=O)=O)N1CCN(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)9-12(10-13-18(4,16)17)15-7-5-14(3)6-8-15/h11-13H,5-10H2,1-4H3
InChIKeyAJOXAASCIQRTTQ-UHFFFAOYSA-N
MW277.43 g/mol
LogP0.20
Rot. Bonds6

About N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide

N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide (PubChem CID 110403684) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
PubChem CID110403684
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC NameN-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
SMILESCC(C)CC(CNS(C)(=O)=O)N1CCN(C)CC1
InChIInChI=1S/C12H27N3O2S/c1-11(2)9-12(10-13-18(4,16)17)15-7-5-14(3)6-8-15/h11-13H,5-10H2,1-4H3
InChIKeyAJOXAASCIQRTTQ-UHFFFAOYSA-N
XLogP0.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]methanesulfonamide
CID 110404077
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
N-(4-methyl-2-pyrrolidin-1-ylpentyl)propane-1-sulfonamide
CID 110403539
1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
CID 110403648
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-1-sulfonamide
CID 134017896
N,4-dimethyl-2-pyrrolidin-1-ylpentan-1-amine
CID 19439849
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585
4-acetyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403598
1-(2-methylphenyl)-N-(4-methyl-2-piperidin-1-ylpentyl)methanesulfonamide
CID 110403434

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide?
The IUPAC name of N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide (CID 110403684) is N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide.
What is the SMILES notation for N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide?
The canonical SMILES for N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide is CC(C)CC(CNS(C)(=O)=O)N1CCN(C)CC1.
What is the InChIKey of N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide?
The InChIKey is AJOXAASCIQRTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-11(2)9-12(10-13-18(4,16)17)15-7-5-14(3)6-8-15/h11-13H,5-10H2,1-4H3.
What are the key properties of N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide?
N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide has a molecular weight of 277.43 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide is sourced from PubChem (CID 110403684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).