2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

C10H23N3O2S — CID 63004531

IUPAC2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,8-11)9-12-4-6-13(7-5-12)16(3,14)15/h4-9,11H2,1-3H3
InChIKeyAOFPVBDHTQJHMH-UHFFFAOYSA-N
MW249.38 g/mol
LogP-0.45
Rot. Bonds4

About 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine

2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (PubChem CID 63004531) has the molecular formula C10H23N3O2S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
PubChem CID63004531
Molecular FormulaC10H23N3O2S
Molecular Weight249.38 g/mol
Exact Mass249.15
IUPAC Name2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
SMILESCC(C)(CN)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H23N3O2S/c1-10(2,8-11)9-12-4-6-13(7-5-12)16(3,14)15/h4-9,11H2,1-3H3
InChIKeyAOFPVBDHTQJHMH-UHFFFAOYSA-N
XLogP-0.45
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
CID 134590740
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
CID 63004401
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
4-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-amine
CID 77110546
3-methoxy-2-methyl-2-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 55133510
2-[(4-methylsulfonylpiperazin-1-yl)methyl]prop-2-en-1-amine
CID 103070484
4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
CID 176878850
2-methoxy-4-(4-methylsulfonylpiperazin-1-yl)butan-1-amine
CID 103152498
2-(aminomethyl)-2-methyl-1-(4-methylsulfonylpiperazin-1-yl)butan-1-one
CID 114290672
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-(3-amino-2,2-dimethylpropyl)-4-methylpiperidin-4-ol
CID 81115275

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine (CID 63004531) is 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is CC(C)(CN)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
The InChIKey is AOFPVBDHTQJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2S/c1-10(2,8-11)9-12-4-6-13(7-5-12)16(3,14)15/h4-9,11H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine?
2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine has a molecular weight of 249.38 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 63004531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).