3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

C8H19N3O2S — CID 28705955

IUPAC3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-14(12,13)11-7-5-10(6-8-11)4-2-3-9/h2-9H2,1H3
InChIKeyDFDIDGMHFJUIED-UHFFFAOYSA-N
MW221.33 g/mol
LogP-1.09
Rot. Bonds4

About 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 28705955) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID28705955
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC Name3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCS(=O)(=O)N1CCN(CCCN)CC1
InChIInChI=1S/C8H19N3O2S/c1-14(12,13)11-7-5-10(6-8-11)4-2-3-9/h2-9H2,1H3
InChIKeyDFDIDGMHFJUIED-UHFFFAOYSA-N
XLogP-1.09
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Methanesulfonylpiperazin-1-yl)ethan-1-amine
CID 43252224
N-methyl-N-{2-[(1-methylpiperidin-4-yl)amino]ethyl}methanesulfonamide
CID 50954696
N-[2-(4-methylpiperazin-1-yl)ethyl]propane-1-sulfonamide
CID 60703057
N-[[1-propan-2-yl-4-(2,2,2-trifluoroethyl)piperazin-2-yl]methyl]methanesulfonamide
CID 70811669
N-[[4-(2-fluoroethyl)-1-(3-methylbutan-2-yl)piperazin-2-yl]methyl]methanesulfonamide
CID 87729038
N-[[4-(2,2-difluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241722
N-[[4-(2-fluoroethyl)-1-propan-2-ylpiperazin-2-yl]methyl]methanesulfonamide
CID 118241771
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 43251278
4-[4-(Difluoromethylsulfonyl)piperazin-1-yl]butan-1-amine
CID 43252267
3-[4-(Difluoromethylsulfonyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 43252302
1,1-difluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 43443244
1,1,1-trifluoro-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 43607074

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (CID 28705955) is 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is CS(=O)(=O)N1CCN(CCCN)CC1.
What is the InChIKey of 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is DFDIDGMHFJUIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-14(12,13)11-7-5-10(6-8-11)4-2-3-9/h2-9H2,1H3.
What are the key properties of 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 221.33 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 28705955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).