2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine

C9H22N4O2S — CID 160876029

IUPAC2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine
SMILESCN(C)CS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C9H22N4O2S/c1-11(2)9-16(14,15)13-7-5-12(4-3-10)6-8-13/h3-10H2,1-2H3
InChIKeyWGLOVXMWIDWBMC-UHFFFAOYSA-N
MW250.37 g/mol
LogP-1.59
Rot. Bonds5

About 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine

2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine (PubChem CID 160876029) has the molecular formula C9H22N4O2S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine
PubChem CID160876029
Molecular FormulaC9H22N4O2S
Molecular Weight250.37 g/mol
Exact Mass250.15
IUPAC Name2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine
SMILESCN(C)CS(=O)(=O)N1CCN(CCN)CC1
InChIInChI=1S/C9H22N4O2S/c1-11(2)9-16(14,15)13-7-5-12(4-3-10)6-8-13/h3-10H2,1-2H3
InChIKeyWGLOVXMWIDWBMC-UHFFFAOYSA-N
XLogP-1.59
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 5-1.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine (CID 160876029) is 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine is CN(C)CS(=O)(=O)N1CCN(CCN)CC1.
What is the InChIKey of 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine?
The InChIKey is WGLOVXMWIDWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O2S/c1-11(2)9-16(14,15)13-7-5-12(4-3-10)6-8-13/h3-10H2,1-2H3.
What are the key properties of 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine?
2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine has a molecular weight of 250.37 g/mol, XLogP of -1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(dimethylamino)methylsulfonyl]piperazin-1-yl]ethanamine is sourced from PubChem (CID 160876029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).