2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine

C10H23N3O2S — CID 63190603

IUPAC2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
SMILESCS(=O)(=O)CCCN1CCN(CCN)CC1
InChIInChI=1S/C10H23N3O2S/c1-16(14,15)10-2-4-12-6-8-13(5-3-11)9-7-12/h2-11H2,1H3
InChIKeyUJIYKRWBXOYUBP-UHFFFAOYSA-N
MW249.38 g/mol
LogP-1.00
Rot. Bonds6

About 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine

2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine (PubChem CID 63190603) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
PubChem CID63190603
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine
SMILESCS(=O)(=O)CCCN1CCN(CCN)CC1
InChIInChI=1S/C10H23N3O2S/c1-16(14,15)10-2-4-12-6-8-13(5-3-11)9-7-12/h2-11H2,1H3
InChIKeyUJIYKRWBXOYUBP-UHFFFAOYSA-N
XLogP-1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(3-methylsulfonylpropyl)piperazin-1-yl]pentan-1-amine
CID 63190695
4-bromo-1-(3-methylsulfonylpropyl)piperidine
CID 80679011
2-(4-ethylsulfonylpiperazin-1-yl)ethanamine
CID 28705822
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanamine
CID 82890041
1-(3-methylsulfonylpropyl)piperidine-4-carbaldehyde
CID 63196126
2-(4-hexylpiperazin-1-yl)ethanamine
CID 28913883
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
5-[4-(2-aminoethyl)piperazin-1-yl]pentanamide
CID 176925582
1-iodo-4-(2-methylsulfonylethyl)piperazine
CID 144963029
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
9-methylsulfonylnonan-1-amine
CID 101417644

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine (CID 63190603) is 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine is CS(=O)(=O)CCCN1CCN(CCN)CC1.
What is the InChIKey of 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine?
The InChIKey is UJIYKRWBXOYUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-16(14,15)10-2-4-12-6-8-13(5-3-11)9-7-12/h2-11H2,1H3.
What are the key properties of 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine?
2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine has a molecular weight of 249.38 g/mol, XLogP of -1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 63190603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).