2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine

C11H25N3O2S — CID 43252310

IUPAC2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCCCS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-8-17(15,16)14-6-4-13(5-7-14)10-11(2)9-12/h11H,3-10,12H2,1-2H3
InChIKeyQGFUYMMWMLZXLA-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.06
Rot. Bonds6

About 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine

2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 43252310) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID43252310
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCCCS(=O)(=O)N1CCN(CC(C)CN)CC1
InChIInChI=1S/C11H25N3O2S/c1-3-8-17(15,16)14-6-4-13(5-7-14)10-11(2)9-12/h11H,3-10,12H2,1-2H3
InChIKeyQGFUYMMWMLZXLA-UHFFFAOYSA-N
XLogP-0.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63244986
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
CID 106722640
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 43252306
3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 61065292
4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
CID 114813812
1,4-bis(propylsulfonyl)-1,4-diazepane
CID 52744132
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
3-(aminomethyl)-1-(4-propylsulfonylpiperazin-1-yl)pentan-1-one
CID 81086907
1-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-propylpentan-1-one
CID 82984066
3-(4-propylsulfonylpiperazin-1-yl)propanenitrile
CID 28705422
2-methyl-3-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62375599
methyl N-[[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461198

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine (CID 43252310) is 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine is CCCS(=O)(=O)N1CCN(CC(C)CN)CC1.
What is the InChIKey of 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is QGFUYMMWMLZXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-3-8-17(15,16)14-6-4-13(5-7-14)10-11(2)9-12/h11H,3-10,12H2,1-2H3.
What are the key properties of 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine?
2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 263.41 g/mol, XLogP of -0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 43252310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).