5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine

C16H30N2S — CID 107298458

IUPAC5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CC1CCSC1
InChIInChI=1S/C16H30N2S/c1-12(2)15-8-17-16(3,14-4-5-14)11-18(15)9-13-6-7-19-10-13/h12-15,17H,4-11H2,1-3H3
InChIKeyNGZXJCBSVMUAAZ-UHFFFAOYSA-N
MW282.50 g/mol
LogP2.84
Rot. Bonds4

About 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine

5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine (PubChem CID 107298458) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
PubChem CID107298458
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine
SMILESCC(C)C1CNC(C)(C2CC2)CN1CC1CCSC1
InChIInChI=1S/C16H30N2S/c1-12(2)15-8-17-16(3,14-4-5-14)11-18(15)9-13-6-7-19-10-13/h12-15,17H,4-11H2,1-3H3
InChIKeyNGZXJCBSVMUAAZ-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The IUPAC name of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine (CID 107298458) is 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine is CC(C)C1CNC(C)(C2CC2)CN1CC1CCSC1.
What is the InChIKey of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
The InChIKey is NGZXJCBSVMUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-12(2)15-8-17-16(3,14-4-5-14)11-18(15)9-13-6-7-19-10-13/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine?
5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine has a molecular weight of 282.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-2-propan-2-yl-1-(thiolan-3-ylmethyl)piperazine is sourced from PubChem (CID 107298458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).