1-(8aH-thiochromen-4-yl)-2-methylpiperazine

C14H18N2S — CID 123332781

IUPAC1-(8aH-thiochromen-4-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1=C2C=CC=CC2SC=C1
InChIInChI=1S/C14H18N2S/c1-11-10-15-7-8-16(11)13-6-9-17-14-5-3-2-4-12(13)14/h2-6,9,11,14-15H,7-8,10H2,1H3
InChIKeyYMWVSQZXVAMPOV-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.29
Rot. Bonds1

About 1-(8aH-thiochromen-4-yl)-2-methylpiperazine

1-(8aH-thiochromen-4-yl)-2-methylpiperazine (PubChem CID 123332781) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(8aH-thiochromen-4-yl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(8aH-thiochromen-4-yl)-2-methylpiperazine
PubChem CID123332781
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(8aH-thiochromen-4-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1=C2C=CC=CC2SC=C1
InChIInChI=1S/C14H18N2S/c1-11-10-15-7-8-16(11)13-6-9-17-14-5-3-2-4-12(13)14/h2-6,9,11,14-15H,7-8,10H2,1H3
InChIKeyYMWVSQZXVAMPOV-UHFFFAOYSA-N
XLogP2.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(14-Methylsulfanyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,12-heptaenyl)piperazine
CID 20232267
N,N-dimethyl-7-methylidene-4a,9a,10,10a-tetrahydrophenothiazin-3-amine
CID 118074636
N-methyl-4-thiomorpholin-4-ylcyclohexa-2,4-dien-1-amine
CID 123728684
1-[(3E,5E,7Z)-5-ethenyl-2,3-dimethyldeca-1,3,5,7-tetraen-4-yl]-3-(ethenylsulfanylmethyl)-2-methylidenepiperazine
CID 130374476
4a,8-Dimethyl-4,5a,9a,10-tetrahydrophenothiazine
CID 163438039
3-Cyclohexa-1,5-dien-1-yl-1-(5-methylsulfanylcyclohexa-1,3-dien-1-yl)piperazine
CID 163990586
3-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]thiomorpholine
CID 106314849
N,3-dimethyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
CID 106444818
N-ethyl-3-methyl-1-(4-methylthiomorpholin-3-yl)but-2-en-1-amine
CID 106445158
3-methyl-1-(4-methylthiomorpholin-3-yl)-N-propylbut-2-en-1-amine
CID 106445450
N,N-dimethyl-1-[5-[(Z)-prop-1-enyl]-4-[(E)-1-thiomorpholin-4-ylprop-1-enyl]-1,2,3,6-tetrahydropyridin-2-yl]methanamine
CID 142416761

Frequently Asked Questions

What is the IUPAC name of 1-(8aH-thiochromen-4-yl)-2-methylpiperazine?
The IUPAC name of 1-(8aH-thiochromen-4-yl)-2-methylpiperazine (CID 123332781) is 1-(8aH-thiochromen-4-yl)-2-methylpiperazine.
What is the SMILES notation for 1-(8aH-thiochromen-4-yl)-2-methylpiperazine?
The canonical SMILES for 1-(8aH-thiochromen-4-yl)-2-methylpiperazine is CC1CNCCN1C1=C2C=CC=CC2SC=C1.
What is the InChIKey of 1-(8aH-thiochromen-4-yl)-2-methylpiperazine?
The InChIKey is YMWVSQZXVAMPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-11-10-15-7-8-16(11)13-6-9-17-14-5-3-2-4-12(13)14/h2-6,9,11,14-15H,7-8,10H2,1H3.
What are the key properties of 1-(8aH-thiochromen-4-yl)-2-methylpiperazine?
1-(8aH-thiochromen-4-yl)-2-methylpiperazine has a molecular weight of 246.38 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8aH-thiochromen-4-yl)-2-methylpiperazine is sourced from PubChem (CID 123332781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).