N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

C15H30N4O4S — CID 36933060

IUPACN-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-4-15(2,3)16-14(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h4-13H2,1-3H3,(H,16,20)
InChIKeyMSFILJCSRWYSNJ-UHFFFAOYSA-N
MW362.50 g/mol
LogP-0.51
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide

N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (PubChem CID 36933060) has the molecular formula C15H30N4O4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
PubChem CID36933060
Molecular FormulaC15H30N4O4S
Molecular Weight362.50 g/mol
Exact Mass362.20
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
SMILESCCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C15H30N4O4S/c1-4-15(2,3)16-14(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h4-13H2,1-3H3,(H,16,20)
InChIKeyMSFILJCSRWYSNJ-UHFFFAOYSA-N
XLogP-0.51
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide (CID 36933060) is N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is CCC(C)(C)NC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
The InChIKey is MSFILJCSRWYSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O4S/c1-4-15(2,3)16-14(20)13-17-5-7-18(8-6-17)24(21,22)19-9-11-23-12-10-19/h4-13H2,1-3H3,(H,16,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide?
N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide has a molecular weight of 362.50 g/mol, XLogP of -0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide is sourced from PubChem (CID 36933060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).