[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine

C16H25N3S — CID 79950571

IUPAC[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(c3ccccc3)CC2)CS1
InChIInChI=1S/C16H25N3S/c1-14-11-16(12-17,13-20-14)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3
InChIKeyALVBLCWMNRFMBU-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.03
Rot. Bonds3

About [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine

[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79950571) has the molecular formula C16H25N3S and a molecular weight of 291.46 g/mol. Its IUPAC name is [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
PubChem CID79950571
Molecular FormulaC16H25N3S
Molecular Weight291.46 g/mol
Exact Mass291.18
IUPAC Name[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(c3ccccc3)CC2)CS1
InChIInChI=1S/C16H25N3S/c1-14-11-16(12-17,13-20-14)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3
InChIKeyALVBLCWMNRFMBU-UHFFFAOYSA-N
XLogP2.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500520
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-methylthiolan-3-yl]methanamine
CID 79950119
[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500314
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[1-methyl-3-[4-(3-methylphenyl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975821
1-(1-adamantylsulfonyl)-4-phenylpiperazine
CID 4918905
[3-[4-(4-chlorophenyl)piperazin-1-yl]thian-3-yl]methanamine
CID 62872918
[3-(2,4-dimethyl-1,4-diazepan-1-yl)-5-methylthiolan-3-yl]methanamine
CID 114086486
[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylpyrrolidin-3-yl]methanamine
CID 62975450

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine (CID 79950571) is [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine is CC1CC(CN)(N2CCN(c3ccccc3)CC2)CS1.
What is the InChIKey of [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is ALVBLCWMNRFMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3S/c1-14-11-16(12-17,13-20-14)19-9-7-18(8-10-19)15-5-3-2-4-6-15/h2-6,14H,7-13,17H2,1H3.
What are the key properties of [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 291.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79950571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).