N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide

C14H29N3OS — CID 90137607

IUPACN-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide
SMILESCCCN1CCN(CC(C)(C)SCC(=O)NC)CC1
InChIInChI=1S/C14H29N3OS/c1-5-6-16-7-9-17(10-8-16)12-14(2,3)19-11-13(18)15-4/h5-12H2,1-4H3,(H,15,18)
InChIKeyZOJJBTXIPCPFSA-UHFFFAOYSA-N
MW287.47 g/mol
LogP1.27
Rot. Bonds7

About N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide

N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide (PubChem CID 90137607) has the molecular formula C14H29N3OS and a molecular weight of 287.47 g/mol. Its IUPAC name is N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide
PubChem CID90137607
Molecular FormulaC14H29N3OS
Molecular Weight287.47 g/mol
Exact Mass287.20
IUPAC NameN-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide
SMILESCCCN1CCN(CC(C)(C)SCC(=O)NC)CC1
InChIInChI=1S/C14H29N3OS/c1-5-6-16-7-9-17(10-8-16)12-14(2,3)19-11-13(18)15-4/h5-12H2,1-4H3,(H,15,18)
InChIKeyZOJJBTXIPCPFSA-UHFFFAOYSA-N
XLogP1.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-Dimethylthiomorpholin-4-yl)acetamide
CID 115683629
N-(3-methylbutan-2-yl)-2-thiomorpholin-4-ylacetamide
CID 53516133
N-pentan-3-yl-2-thiomorpholin-4-ylacetamide
CID 53523746
2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
2-tert-butylsulfanyl-N-[2-methyl-2-(1-oxo-1,4-thiazinan-4-yl)propyl]acetamide
CID 72134793
2-(Methylthio)-1-(piperazin-1-yl)ethan-1-one
CID 28776598
2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
2,2,2-trifluoro-N-[2-(4-methylthiomorpholin-4-ium-4-yl)ethyl]acetamide
CID 163533440
1-(2,2-Dimethylthiomorpholin-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 115683361
2-tert-butylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812104
2-tert-butylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812105
{(1R)-2-(4-ethyl-3,3-dimethyl-1-piperazinyl)-1-[(ethylthio)methyl]-2-oxoethyl}amine dihydrochloride
CID 56752598

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide?
The IUPAC name of N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide (CID 90137607) is N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide.
What is the SMILES notation for N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide?
The canonical SMILES for N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide is CCCN1CCN(CC(C)(C)SCC(=O)NC)CC1.
What is the InChIKey of N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide?
The InChIKey is ZOJJBTXIPCPFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3OS/c1-5-6-16-7-9-17(10-8-16)12-14(2,3)19-11-13(18)15-4/h5-12H2,1-4H3,(H,15,18).
What are the key properties of N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide?
N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide has a molecular weight of 287.47 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-methyl-1-(4-propylpiperazin-1-yl)propan-2-yl]sulfanylacetamide is sourced from PubChem (CID 90137607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).