2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol

C11H25N3O3S — CID 54972132

IUPAC2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol
SMILESCC(C)NCCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(2)12-3-10-18(16,17)14-6-4-13(5-7-14)8-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyZXWIAYUTGNJMIZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP-1.08
Rot. Bonds7

About 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol

2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol (PubChem CID 54972132) has the molecular formula C11H25N3O3S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol
PubChem CID54972132
Molecular FormulaC11H25N3O3S
Molecular Weight279.41 g/mol
Exact Mass279.16
IUPAC Name2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol
SMILESCC(C)NCCS(=O)(=O)N1CCN(CCO)CC1
InChIInChI=1S/C11H25N3O3S/c1-11(2)12-3-10-18(16,17)14-6-4-13(5-7-14)8-9-15/h11-12,15H,3-10H2,1-2H3
InChIKeyZXWIAYUTGNJMIZ-UHFFFAOYSA-N
XLogP-1.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol (CID 54972132) is 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol is CC(C)NCCS(=O)(=O)N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol?
The InChIKey is ZXWIAYUTGNJMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O3S/c1-11(2)12-3-10-18(16,17)14-6-4-13(5-7-14)8-9-15/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol?
2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol has a molecular weight of 279.41 g/mol, XLogP of -1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(propan-2-ylamino)ethylsulfonyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 54972132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).