2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

C9H21N3O2S — CID 63004401

IUPAC2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(C)(N)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,10)8-11-4-6-12(7-5-11)15(3,13)14/h4-8,10H2,1-3H3
InChIKeyOUPPTIJJOWVNHH-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.70
Rot. Bonds3

About 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine

2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (PubChem CID 63004401) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
PubChem CID63004401
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine
SMILESCC(C)(N)CN1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H21N3O2S/c1-9(2,10)8-11-4-6-12(7-5-11)15(3,13)14/h4-8,10H2,1-3H3
InChIKeyOUPPTIJJOWVNHH-UHFFFAOYSA-N
XLogP-0.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)propan-1-amine
CID 63004531
1-(2,2-dimethylbutyl)-4-methylsulfonylpiperazine
CID 134590740
1-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-2-methylpropan-2-amine
CID 120858500
4-(4-methylsulfonylpiperazin-1-yl)but-2-en-1-amine
CID 77110546
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine
CID 120847809
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847332
methyl 2-amino-2-cyclopropyl-3-(4-methylsulfonylpiperazin-1-yl)propanoate
CID 63927438
1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropan-2-amine;hydrochloride
CID 120847354
2-methyl-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]propan-2-amine;hydrochloride
CID 120847370
4-(2-fluoro-2-methylpropyl)piperazine-1-sulfonamide
CID 176878850
2-(4-methylsulfonylpiperazin-1-yl)ethanol
CID 2762426
1-(2-methyl-2-piperidin-3-ylpropyl)-4-methylsulfonylpiperazine
CID 83198486

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The IUPAC name of 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine (CID 63004401) is 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine.
What is the SMILES notation for 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The canonical SMILES for 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is CC(C)(N)CN1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
The InChIKey is OUPPTIJJOWVNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-9(2,10)8-11-4-6-12(7-5-11)15(3,13)14/h4-8,10H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine?
2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine has a molecular weight of 235.35 g/mol, XLogP of -0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylsulfonylpiperazin-1-yl)propan-2-amine is sourced from PubChem (CID 63004401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).