2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine

C12H27N3S — CID 63608542

IUPAC2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1CN(C(CN)CCSC)CCN1C
InChIInChI=1S/C12H27N3S/c1-4-11-10-15(7-6-14(11)2)12(9-13)5-8-16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyJWSKQSXLXBWHOO-UHFFFAOYSA-N
MW245.44 g/mol
LogP1.09
Rot. Bonds6

About 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine

2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine (PubChem CID 63608542) has the molecular formula C12H27N3S and a molecular weight of 245.44 g/mol. Its IUPAC name is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine
PubChem CID63608542
Molecular FormulaC12H27N3S
Molecular Weight245.44 g/mol
Exact Mass245.19
IUPAC Name2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine
SMILESCCC1CN(C(CN)CCSC)CCN1C
InChIInChI=1S/C12H27N3S/c1-4-11-10-15(7-6-14(11)2)12(9-13)5-8-16-3/h11-12H,4-10,13H2,1-3H3
InChIKeyJWSKQSXLXBWHOO-UHFFFAOYSA-N
XLogP1.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethyl-4-methylpiperazin-1-yl)butan-2-amine
CID 63610693
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-methylsulfanylbutan-1-amine
CID 79175307
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77000767
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methylsulfanylbutan-1-amine
CID 79932410
2-(5-ethyl-2-methylmorpholin-4-yl)-4-methylsulfanylbutan-1-amine
CID 61424177
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylsulfanylbutan-1-amine
CID 54985774
5-methylsulfanyl-2-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-amine
CID 103089049
2-(3-ethyl-4-methylpiperazin-1-yl)propanoic acid
CID 63609756
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(2-fluorophenyl)ethanamine
CID 63603473
2-(3-ethyl-4-methylpiperazin-1-yl)-2-(3-fluorophenyl)ethanamine
CID 63605213
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine?
The IUPAC name of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine (CID 63608542) is 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine is CCC1CN(C(CN)CCSC)CCN1C.
What is the InChIKey of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine?
The InChIKey is JWSKQSXLXBWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3S/c1-4-11-10-15(7-6-14(11)2)12(9-13)5-8-16-3/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine?
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine has a molecular weight of 245.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-methylpiperazin-1-yl)-4-methylsulfanylbutan-1-amine is sourced from PubChem (CID 63608542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).