N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide

C12H25N3OS — CID 125443769

IUPACN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-11(4-5-13-12(16)10-17-3)15-8-6-14(2)7-9-15/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m1/s1
InChIKeyQDMXMPCNJLDQFT-LLVKDONJSA-N
MW259.42 g/mol
LogP0.49
Rot. Bonds6

About N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide

N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide (PubChem CID 125443769) has the molecular formula C12H25N3OS and a molecular weight of 259.42 g/mol. Its IUPAC name is N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide
PubChem CID125443769
Molecular FormulaC12H25N3OS
Molecular Weight259.42 g/mol
Exact Mass259.17
IUPAC NameN-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide
SMILESCSCC(=O)NCC[C@@H](C)N1CCN(C)CC1
InChIInChI=1S/C12H25N3OS/c1-11(4-5-13-12(16)10-17-3)15-8-6-14(2)7-9-15/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m1/s1
InChIKeyQDMXMPCNJLDQFT-LLVKDONJSA-N
XLogP0.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]acetamide
CID 125435468
3-methyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]oxetane-3-carboxamide
CID 125445217
N-ethyl-3-(4-methylpiperazin-1-yl)butan-1-amine
CID 62437944
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
ethyl N-[3-(aziridin-1-yl)butyl]carbamate
CID 20801420
5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
CID 125443479
4-(4-methylpiperazin-1-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]pentanamide
CID 91764415
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
N-[3-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 91833958
(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
CID 164637520
2-amino-N-[3-(4-methylpiperazin-1-yl)butyl]-6-(2-methylpropyl)pyrimidine-4-carboxamide
CID 131950985

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide?
The IUPAC name of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide (CID 125443769) is N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide.
What is the SMILES notation for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide?
The canonical SMILES for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide is CSCC(=O)NCC[C@@H](C)N1CCN(C)CC1.
What is the InChIKey of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide?
The InChIKey is QDMXMPCNJLDQFT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3OS/c1-11(4-5-13-12(16)10-17-3)15-8-6-14(2)7-9-15/h11H,4-10H2,1-3H3,(H,13,16)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide?
N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide has a molecular weight of 259.42 g/mol, XLogP of 0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]-2-methylsulfanylacetamide is sourced from PubChem (CID 125443769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).