2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride

C13H28ClN3O4S — CID 119343271

IUPAC2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)N)CC1.Cl
InChIInChI=1S/C13H27N3O4S.ClH/c1-11(2)20-9-10-21(18,19)16-7-5-15(6-8-16)12(17)13(3,4)14;/h11H,5-10,14H2,1-4H3;1H
InChIKeyXZJBDJQSCCXGQS-UHFFFAOYSA-N
MW357.90 g/mol
LogP0.04
Rot. Bonds6

About 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride

2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride (PubChem CID 119343271) has the molecular formula C13H28ClN3O4S and a molecular weight of 357.90 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
PubChem CID119343271
Molecular FormulaC13H28ClN3O4S
Molecular Weight357.90 g/mol
Exact Mass357.15
IUPAC Name2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride
SMILESCC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)N)CC1.Cl
InChIInChI=1S/C13H27N3O4S.ClH/c1-11(2)20-9-10-21(18,19)16-7-5-15(6-8-16)12(17)13(3,4)14;/h11H,5-10,14H2,1-4H3;1H
InChIKeyXZJBDJQSCCXGQS-UHFFFAOYSA-N
XLogP0.04
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.90
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride (CID 119343271) is 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride is CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)N)CC1.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
The InChIKey is XZJBDJQSCCXGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O4S.ClH/c1-11(2)20-9-10-21(18,19)16-7-5-15(6-8-16)12(17)13(3,4)14;/h11H,5-10,14H2,1-4H3;1H.
What are the key properties of 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride?
2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride has a molecular weight of 357.90 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 119343271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).