morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane

C17H35N5OS — CID 141190642

IUPACmorpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane
SMILESC1CCN(S(N2CCCC2)(N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C17H35N5OS/c1-2-8-19(9-3-1)24(20-10-4-5-11-20,21-12-6-18-7-13-21)22-14-16-23-17-15-22/h18H,1-17H2
InChIKeyCJISRZCPLZLROB-UHFFFAOYSA-N
MW357.57 g/mol
LogP1.27
Rot. Bonds4

About morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane

morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane (PubChem CID 141190642) has the molecular formula C17H35N5OS and a molecular weight of 357.57 g/mol. Its IUPAC name is morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane.

Molecular Properties

Compound Namemorpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane
PubChem CID141190642
Molecular FormulaC17H35N5OS
Molecular Weight357.57 g/mol
Exact Mass357.26
IUPAC Namemorpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane
SMILESC1CCN(S(N2CCCC2)(N2CCNCC2)N2CCOCC2)CC1
InChIInChI=1S/C17H35N5OS/c1-2-8-19(9-3-1)24(20-10-4-5-11-20,21-12-6-18-7-13-21)22-14-16-23-17-15-22/h18H,1-17H2
InChIKeyCJISRZCPLZLROB-UHFFFAOYSA-N
XLogP1.27
TPSA34.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 53663701
2,2-Di(piperidin-1-yl)-3-pyrrolidin-1-ylmorpholine
CID 56631290
Morpholine;piperazine;piperidine
CID 67151380
3-Piperazin-1-yl-2-piperidin-1-yl-3-pyrrolidin-1-ylmorpholine
CID 90694084
Ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143205260
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 143931600
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 144057730
4-Propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine
CID 144364405
Ethane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine
CID 145109143
2-Morpholin-4-ylethanol;2-piperazin-1-ylethanol;2-piperidin-1-ylethanol;2-pyrrolidin-1-ylethanol
CID 157451778
1-Tert-butylpyrrolidine;tris(2-methylpropane);morpholine;piperazine;piperidine
CID 157537968
Methane;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157569916

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane?
The IUPAC name of morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane (CID 141190642) is morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane.
What is the SMILES notation for morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane?
The canonical SMILES for morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane is C1CCN(S(N2CCCC2)(N2CCNCC2)N2CCOCC2)CC1.
What is the InChIKey of morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane?
The InChIKey is CJISRZCPLZLROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5OS/c1-2-8-19(9-3-1)24(20-10-4-5-11-20,21-12-6-18-7-13-21)22-14-16-23-17-15-22/h18H,1-17H2.
What are the key properties of morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane?
morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane has a molecular weight of 357.57 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-piperazin-1-yl-piperidin-1-yl-pyrrolidin-1-yl-λ4-sulfane is sourced from PubChem (CID 141190642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).