[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine

C13H25N3S — CID 114080123

IUPAC[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCC1SCCC1(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3S/c1-11-13(10-14,4-9-17-11)16-7-5-15(6-8-16)12-2-3-12/h11-12H,2-10,14H2,1H3
InChIKeyGJFGCPLWUIIGPW-UHFFFAOYSA-N
MW255.43 g/mol
LogP0.99
Rot. Bonds3

About [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine

[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine (PubChem CID 114080123) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
PubChem CID114080123
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
SMILESCC1SCCC1(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H25N3S/c1-11-13(10-14,4-9-17-11)16-7-5-15(6-8-16)12-2-3-12/h11-12H,2-10,14H2,1H3
InChIKeyGJFGCPLWUIIGPW-UHFFFAOYSA-N
XLogP0.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine with MolForge

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Related Compounds

[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952514
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylthian-3-yl]methanamine
CID 79952030
1-[3-(aminomethyl)-2-methylthiolan-3-yl]-N,N-dimethylpiperidin-3-amine
CID 114080155
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047
[3-(3-ethoxypiperidin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080128
[3-(4-ethylazepan-1-yl)-2-methylthian-3-yl]methanamine
CID 79951737
[3-[4-(methoxymethyl)piperidin-1-yl]-2-methylthian-3-yl]methanamine
CID 79951432
1-[3-(aminomethyl)-2-methylthian-3-yl]-N,N-diethylpyrrolidin-3-amine
CID 79951028
[1-(4-cyclopropylpiperazin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705604
[1-(4-cyclopropylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79858011
[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)thian-3-yl]methanamine
CID 79951129

Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine (CID 114080123) is [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine is CC1SCCC1(CN)N1CCN(C2CC2)CC1.
What is the InChIKey of [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine?
The InChIKey is GJFGCPLWUIIGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-11-13(10-14,4-9-17-11)16-7-5-15(6-8-16)12-2-3-12/h11-12H,2-10,14H2,1H3.
What are the key properties of [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine?
[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine has a molecular weight of 255.43 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 114080123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).