[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine

C13H27N3S — CID 79950463

IUPAC[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCCC1CN(C2(CN)CSC(C)C2)CCN1C
InChIInChI=1S/C13H27N3S/c1-4-12-8-16(6-5-15(12)3)13(9-14)7-11(2)17-10-13/h11-12H,4-10,14H2,1-3H3
InChIKeyNHJUKYPTJCNWCS-UHFFFAOYSA-N
MW257.45 g/mol
LogP1.24
Rot. Bonds3

About [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine

[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine (PubChem CID 79950463) has the molecular formula C13H27N3S and a molecular weight of 257.45 g/mol. Its IUPAC name is [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
PubChem CID79950463
Molecular FormulaC13H27N3S
Molecular Weight257.45 g/mol
Exact Mass257.19
IUPAC Name[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCCC1CN(C2(CN)CSC(C)C2)CCN1C
InChIInChI=1S/C13H27N3S/c1-4-12-8-16(6-5-15(12)3)13(9-14)7-11(2)17-10-13/h11-12H,4-10,14H2,1-3H3
InChIKeyNHJUKYPTJCNWCS-UHFFFAOYSA-N
XLogP1.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-ethyl-4-methylpiperazin-1-yl)-3-methylcyclobutyl]methanamine
CID 103562910
[3-(azocan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79949507
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119
[3-(3-ethylmorpholin-4-yl)-5-methylthiolan-3-yl]methanamine
CID 79950103
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
CID 79950950
[3-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 114086486
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[3-(2,6-dimethylthiomorpholin-4-yl)-1,5-dimethylpyrrolidin-3-yl]methanamine
CID 81467595
5-(3-ethyl-4-methylpiperazin-1-yl)sulfonylthiophen-3-amine
CID 63605065

Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine (CID 79950463) is [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine is CCC1CN(C2(CN)CSC(C)C2)CCN1C.
What is the InChIKey of [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The InChIKey is NHJUKYPTJCNWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3S/c1-4-12-8-16(6-5-15(12)3)13(9-14)7-11(2)17-10-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine has a molecular weight of 257.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 79950463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).