1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine

C13H26N2S — CID 80725162

IUPAC1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CC1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-11(2)12-9-14-6-7-15(12)10-13(3)5-4-8-16-13/h11-12,14H,4-10H2,1-3H3
InChIKeyCYATUKFYWCKSRV-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.20
Rot. Bonds3

About 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine

1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine (PubChem CID 80725162) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
PubChem CID80725162
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC Name1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine
SMILESCC(C)C1CNCCN1CC1(C)CCCS1
InChIInChI=1S/C13H26N2S/c1-11(2)12-9-14-6-7-15(12)10-13(3)5-4-8-16-13/h11-12,14H,4-10H2,1-3H3
InChIKeyCYATUKFYWCKSRV-UHFFFAOYSA-N
XLogP2.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yl-1,4-diazaspiro[5.5]undecane
CID 80724143
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
2,5,5-trimethyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80724680
1-(3-methylbut-2-enyl)-2-propan-2-ylpiperazine
CID 107901384
5,5-diethyl-2-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730112
3-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730109
2,5-diethyl-5-methyl-1-[(2-methylthiolan-2-yl)methyl]piperazine
CID 80730833
1-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpiperazine
CID 107420870
1-(5-methylhexyl)-2-propan-2-ylpiperazine
CID 115327087
1-[(2-methylthiolan-2-yl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 80730835
1-[(2,4-difluorophenyl)methyl]-2-propan-2-ylpiperazine
CID 64833925
1-pent-4-ynyl-2-propan-2-ylpiperazine
CID 106222019

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine?
The IUPAC name of 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine (CID 80725162) is 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine?
The canonical SMILES for 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine is CC(C)C1CNCCN1CC1(C)CCCS1.
What is the InChIKey of 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine?
The InChIKey is CYATUKFYWCKSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-11(2)12-9-14-6-7-15(12)10-13(3)5-4-8-16-13/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine?
1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine has a molecular weight of 242.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylthiolan-2-yl)methyl]-2-propan-2-ylpiperazine is sourced from PubChem (CID 80725162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).