trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane

C16H36N2S — CID 146587660

IUPACtrimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane
SMILESCC(CC(C)S(C)(C)C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C16H36N2S/c1-14(2)18-10-8-17(9-11-18)13-15(3)12-16(4)19(5,6)7/h14-16H,8-13H2,1-7H3
InChIKeyJVAUTXVRGCHHJF-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.12
Rot. Bonds6

About trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane

trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane (PubChem CID 146587660) has the molecular formula C16H36N2S and a molecular weight of 288.54 g/mol. Its IUPAC name is trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane
PubChem CID146587660
Molecular FormulaC16H36N2S
Molecular Weight288.54 g/mol
Exact Mass288.26
IUPAC Nametrimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane
SMILESCC(CC(C)S(C)(C)C)CN1CCN(C(C)C)CC1
InChIInChI=1S/C16H36N2S/c1-14(2)18-10-8-17(9-11-18)13-15(3)12-16(4)19(5,6)7/h14-16H,8-13H2,1-7H3
InChIKeyJVAUTXVRGCHHJF-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane?
The IUPAC name of trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane (CID 146587660) is trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane?
The canonical SMILES for trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane is CC(CC(C)S(C)(C)C)CN1CCN(C(C)C)CC1.
What is the InChIKey of trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane?
The InChIKey is JVAUTXVRGCHHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2S/c1-14(2)18-10-8-17(9-11-18)13-15(3)12-16(4)19(5,6)7/h14-16H,8-13H2,1-7H3.
What are the key properties of trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane?
trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane has a molecular weight of 288.54 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-methyl-5-(4-propan-2-ylpiperazin-1-yl)pentan-2-yl]-λ4-sulfane is sourced from PubChem (CID 146587660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).