2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine

C14H27N3O4S — CID 19008638

IUPAC2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine
SMILESCC(N=S(=O)=O)(C(=O)O)C1CCCCC1.CN1CCNCC1
InChIInChI=1S/C9H15NO4S.C5H12N2/c1-9(8(11)12,10-15(13)14)7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h7H,2-6H2,1H3,(H,11,12);6H,2-5H2,1H3
InChIKeyDLINVGCXLQYOEG-UHFFFAOYSA-N
MW333.45 g/mol
LogP0.99
Rot. Bonds3

About 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine

2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine (PubChem CID 19008638) has the molecular formula C14H27N3O4S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine.

Molecular Properties

Compound Name2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine
PubChem CID19008638
Molecular FormulaC14H27N3O4S
Molecular Weight333.45 g/mol
Exact Mass333.17
IUPAC Name2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine
SMILESCC(N=S(=O)=O)(C(=O)O)C1CCCCC1.CN1CCNCC1
InChIInChI=1S/C9H15NO4S.C5H12N2/c1-9(8(11)12,10-15(13)14)7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h7H,2-6H2,1H3,(H,11,12);6H,2-5H2,1H3
InChIKeyDLINVGCXLQYOEG-UHFFFAOYSA-N
XLogP0.99
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine?
The IUPAC name of 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine (CID 19008638) is 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine.
What is the SMILES notation for 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine?
The canonical SMILES for 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine is CC(N=S(=O)=O)(C(=O)O)C1CCCCC1.CN1CCNCC1.
What is the InChIKey of 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine?
The InChIKey is DLINVGCXLQYOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S.C5H12N2/c1-9(8(11)12,10-15(13)14)7-5-3-2-4-6-7;1-7-4-2-6-3-5-7/h7H,2-6H2,1H3,(H,11,12);6H,2-5H2,1H3.
What are the key properties of 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine?
2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine has a molecular weight of 333.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(sulfonylamino)propanoic acid;1-methylpiperazine is sourced from PubChem (CID 19008638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).