N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide

C12H25N3O2S — CID 113493593

IUPACN-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
SMILESCC(CCS(C)=O)NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2S/c1-10(4-9-18(3)17)14-12(16)11(2)15-7-5-13-6-8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXGYPHMPAPUYRDQ-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.45
Rot. Bonds6

About N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide

N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide (PubChem CID 113493593) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
PubChem CID113493593
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
SMILESCC(CCS(C)=O)NC(=O)C(C)N1CCNCC1
InChIInChI=1S/C12H25N3O2S/c1-10(4-9-18(3)17)14-12(16)11(2)15-7-5-13-6-8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16)
InChIKeyXGYPHMPAPUYRDQ-UHFFFAOYSA-N
XLogP-0.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
2-[2-(1,4,7,10-tetrazacyclododec-1-yl)propanoylamino]acetic acid
CID 57071289
N-(2,2-difluoroethyl)-2-piperazin-1-ylpropanamide
CID 115407717
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-[2-(dimethylcarbamoylamino)ethyl]-2-piperazin-1-ylpropanamide
CID 83121763
N-pent-3-ynyl-2-piperazin-1-ylpropanamide
CID 116644676
N-(2-methylcyclopropyl)-2-piperazin-1-ylpropanamide
CID 62408631
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60718696
N-cyclopropyl-2-(1,4-diazepan-1-yl)propanamide
CID 43115733
N-(1-methylpiperidin-4-yl)-2-piperazin-1-ylpropanamide
CID 43373704
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
2-(4-acetylpiperidin-1-yl)-N-pentan-2-ylpropanamide
CID 63845307

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide (CID 113493593) is N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide is CC(CCS(C)=O)NC(=O)C(C)N1CCNCC1.
What is the InChIKey of N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide?
The InChIKey is XGYPHMPAPUYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-10(4-9-18(3)17)14-12(16)11(2)15-7-5-13-6-8-15/h10-11,13H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide?
N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide has a molecular weight of 275.42 g/mol, XLogP of -0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 113493593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).