3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

C15H28N2O2S — CID 64953559

IUPAC3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCNC(C3CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)9-6-13(12-20)10-17-8-7-16-15(11-17)14-4-2-1-3-5-14/h13-16H,1-12H2
InChIKeyYXPPHFUBNIUSQI-UHFFFAOYSA-N
MW300.47 g/mol
LogP1.28
Rot. Bonds3

About 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide

3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (PubChem CID 64953559) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
PubChem CID64953559
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(CN2CCNC(C3CCCCC3)C2)C1
InChIInChI=1S/C15H28N2O2S/c18-20(19)9-6-13(12-20)10-17-8-7-16-15(11-17)14-4-2-1-3-5-14/h13-16H,1-12H2
InChIKeyYXPPHFUBNIUSQI-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-tert-butyl-1,4-diazepan-1-yl)methyl]thiolane 1,1-dioxide
CID 64949167
[1-[(1,1-dioxothiolan-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 64867746
3-cyclopropyl-1-(oxan-3-ylmethyl)piperazine
CID 64952742
1-[(1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
CID 62133246
3-cyclohexyl-1-(2-cyclopentyloxyethyl)piperazine
CID 64951819
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
3-cyclohexyl-1-(3-methylsulfonylpropyl)piperazine
CID 64833283
3-cyclohexyl-1-(5-methylhexyl)piperazine
CID 115327049
6-(cyclopropylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678700
4-(1,4-diazepan-1-ylmethyl)thiane 1,1-dioxide
CID 115100681
3-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)thiolane 1,1-dioxide
CID 102678265
1-(2-cyclohexyloxyethyl)-3-cyclopropylpiperazine
CID 64953422

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide (CID 64953559) is 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is O=S1(=O)CCC(CN2CCNC(C3CCCCC3)C2)C1.
What is the InChIKey of 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is YXPPHFUBNIUSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2S/c18-20(19)9-6-13(12-20)10-17-8-7-16-15(11-17)14-4-2-1-3-5-14/h13-16H,1-12H2.
What are the key properties of 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide?
3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 300.47 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexylpiperazin-1-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 64953559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).