2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine

C13H29N3O2S — CID 106722640

IUPAC2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)19(17,18)9-8-15-4-6-16(7-5-15)11-13(3)10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyZTJOTLZTPRQVBN-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.02
Rot. Bonds7

About 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine

2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine (PubChem CID 106722640) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
PubChem CID106722640
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine
SMILESCC(CN)CN1CCN(CCS(=O)(=O)C(C)C)CC1
InChIInChI=1S/C13H29N3O2S/c1-12(2)19(17,18)9-8-15-4-6-16(7-5-15)11-13(3)10-14/h12-13H,4-11,14H2,1-3H3
InChIKeyZTJOTLZTPRQVBN-UHFFFAOYSA-N
XLogP0.02
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4-propylsulfonylpiperazin-1-yl)propan-1-amine
CID 43252310
1-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]ethanethiol
CID 135200121
1-(2-propan-2-ylsulfonylethyl)piperidin-4-amine;hydrochloride
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2-methyl-3-[4-(2-methylsulfonylethylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
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3-(4-cyclohexylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 61065292
4-(3-amino-2-methylpropyl)-N-(2-methylpropyl)piperazine-1-sulfonamide
CID 114813812
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
2-methyl-3-[4-(1-methylimidazol-4-yl)sulfonylpiperazin-1-yl]propan-1-amine
CID 62375599
3-(4-benzylsulfonylpiperazin-1-yl)-2-methylpropan-1-amine
CID 43252306

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine (CID 106722640) is 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine is CC(CN)CN1CCN(CCS(=O)(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is ZTJOTLZTPRQVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-12(2)19(17,18)9-8-15-4-6-16(7-5-15)11-13(3)10-14/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine?
2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-propan-2-ylsulfonylethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 106722640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).