[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine

C14H29N3S — CID 79949272

IUPAC[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C(C)(C)C)CC2)CS1
InChIInChI=1S/C14H29N3S/c1-12-9-14(10-15,11-18-12)17-7-5-16(6-8-17)13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyPZGZXZWMBYNMNB-UHFFFAOYSA-N
MW271.47 g/mol
LogP1.63
Rot. Bonds2

About [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine

[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine (PubChem CID 79949272) has the molecular formula C14H29N3S and a molecular weight of 271.47 g/mol. Its IUPAC name is [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
PubChem CID79949272
Molecular FormulaC14H29N3S
Molecular Weight271.47 g/mol
Exact Mass271.21
IUPAC Name[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCN(C(C)(C)C)CC2)CS1
InChIInChI=1S/C14H29N3S/c1-12-9-14(10-15,11-18-12)17-7-5-16(6-8-17)13(2,3)4/h12H,5-11,15H2,1-4H3
InChIKeyPZGZXZWMBYNMNB-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The IUPAC name of [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine (CID 79949272) is [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine is CC1CC(CN)(N2CCN(C(C)(C)C)CC2)CS1.
What is the InChIKey of [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
The InChIKey is PZGZXZWMBYNMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3S/c1-12-9-14(10-15,11-18-12)17-7-5-16(6-8-17)13(2,3)4/h12H,5-11,15H2,1-4H3.
What are the key properties of [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine?
[3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine has a molecular weight of 271.47 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine is sourced from PubChem (CID 79949272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).