2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide

C15H30N4O4S — CID 36931343

IUPAC2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-3-4-14(2)16-15(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyWAPZRVJRRIMARD-CQSZACIVSA-N
MW362.50 g/mol
LogP-0.51
Rot. Bonds7

About 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide

2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide (PubChem CID 36931343) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide
PubChem CID36931343
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC Name2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide
SMILESCCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-3-4-14(2)16-15(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1
InChIKeyWAPZRVJRRIMARD-CQSZACIVSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide?
The IUPAC name of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide (CID 36931343) is 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide is CCC[C@@H](C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide?
The InChIKey is WAPZRVJRRIMARD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-3-4-14(2)16-15(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h14H,3-13H2,1-2H3,(H,16,20)/t14-/m1/s1.
What are the key properties of 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide?
2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide has a molecular weight of 362.50 g/mol, XLogP of -0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-N-[(2R)-pentan-2-yl]acetamide is sourced from PubChem (CID 36931343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).