N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

C16H25N3OS — CID 80547875

IUPACN-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCSc1ccccc1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H25N3OS/c1-4-21-14-8-6-5-7-13(14)18-15(20)16(2,3)19-11-9-17-10-12-19/h5-8,17H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyKIVXLDLTDNFJJM-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.42
Rot. Bonds5

About N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 80547875) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID80547875
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCCSc1ccccc1NC(=O)C(C)(C)N1CCNCC1
InChIInChI=1S/C16H25N3OS/c1-4-21-14-8-6-5-7-13(14)18-15(20)16(2,3)19-11-9-17-10-12-19/h5-8,17H,4,9-12H2,1-3H3,(H,18,20)
InChIKeyKIVXLDLTDNFJJM-UHFFFAOYSA-N
XLogP2.42
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113918
2-(Diethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 69500
2-(Dimethylamino)-1-(10H-phenothiazin-10-yl)ethanone
CID 68846
1-(2-(Methylthio)phenyl)piperazine
CID 2736895
10-(2-(Diethylamino)propionyl)phenothiazine
CID 1403
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-(2-Methoxy-ethylamino)-1-phenothiazin-10-yl-ethanone
CID 3215288
N-(sec-butyl)-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3424085
N-cyclohexyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 3690577
N-cyclopropyl-2-(2-ethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 4453660
N-(3-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 9439216

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 80547875) is N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is CCSc1ccccc1NC(=O)C(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is KIVXLDLTDNFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-21-14-8-6-5-7-13(14)18-15(20)16(2,3)19-11-9-17-10-12-19/h5-8,17H,4,9-12H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 307.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80547875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).