2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one

C12H24N2O2S — CID 81200817

IUPAC2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
SMILESCC(CN)CS(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(8-13)9-17(16)11(2)12(15)14-6-4-3-5-7-14/h10-11H,3-9,13H2,1-2H3
InChIKeyHAXNIFXEIGYIMQ-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.73
Rot. Bonds5

About 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one

2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one (PubChem CID 81200817) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
PubChem CID81200817
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one
SMILESCC(CN)CS(=O)C(C)C(=O)N1CCCCC1
InChIInChI=1S/C12H24N2O2S/c1-10(8-13)9-17(16)11(2)12(15)14-6-4-3-5-7-14/h10-11H,3-9,13H2,1-2H3
InChIKeyHAXNIFXEIGYIMQ-UHFFFAOYSA-N
XLogP0.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminobutylsulfinyl)-1-(azepan-1-yl)propan-1-one
CID 81189041
2-(2-aminobutylsulfinyl)-1-pyrrolidin-1-ylpropan-1-one
CID 81195968
2-(3-aminopropylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81187675
2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81195879
2-(3-amino-2-methylpropyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 66226966
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 63340162
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
2-[(3-amino-2-methylpropyl)-ethylamino]-1-(azepan-1-yl)propan-1-one
CID 54987810
2-[1-(azepan-1-yl)-1-oxopropan-2-yl]sulfinylpropanoic acid
CID 54883842
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
2-(aminomethyl)-5-methyl-4-propan-2-yl-1-pyrrolidin-1-ylhexan-1-one
CID 114281945
N-(3-amino-2-methylpropyl)-N-methylazepane-1-carboxamide
CID 79152799

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one (CID 81200817) is 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one is CC(CN)CS(=O)C(C)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is HAXNIFXEIGYIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-10(8-13)9-17(16)11(2)12(15)14-6-4-3-5-7-14/h10-11H,3-9,13H2,1-2H3.
What are the key properties of 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one?
2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 260.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)sulfinyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 81200817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).