N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

C12H25N3O4S — CID 43416296

IUPACN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-10-20(18,19)13-11(2)12(17)15-6-4-14(5-7-15)8-9-16/h11,13,16H,3-10H2,1-2H3
InChIKeyOEFWFGCWIARVCS-UHFFFAOYSA-N
MW307.42 g/mol
LogP-1.16
Rot. Bonds7

About N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide

N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (PubChem CID 43416296) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
PubChem CID43416296
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC NameN-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C12H25N3O4S/c1-3-10-20(18,19)13-11(2)12(17)15-6-4-14(5-7-15)8-9-16/h11,13,16H,3-10H2,1-2H3
InChIKeyOEFWFGCWIARVCS-UHFFFAOYSA-N
XLogP-1.16
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide (CID 43416296) is N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C(=O)N1CCN(CCO)CC1.
What is the InChIKey of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
The InChIKey is OEFWFGCWIARVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-3-10-20(18,19)13-11(2)12(17)15-6-4-14(5-7-15)8-9-16/h11,13,16H,3-10H2,1-2H3.
What are the key properties of N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide?
N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide has a molecular weight of 307.42 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide is sourced from PubChem (CID 43416296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).