(2R)-2-methylsulfonylpropan-1-amine

C4H11NO2S — CID 87577997

IUPAC(2R)-2-methylsulfonylpropan-1-amine
SMILESC[C@H](CN)S(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3/t4-/m1/s1
InChIKeyPXTJZUBIUFLKMD-SCSAIBSYSA-N
MW137.20 g/mol
LogP-0.62
Rot. Bonds2

About (2R)-2-methylsulfonylpropan-1-amine

(2R)-2-methylsulfonylpropan-1-amine (PubChem CID 87577997) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is (2R)-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name(2R)-2-methylsulfonylpropan-1-amine
PubChem CID87577997
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name(2R)-2-methylsulfonylpropan-1-amine
SMILESC[C@H](CN)S(C)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3/t4-/m1/s1
InChIKeyPXTJZUBIUFLKMD-SCSAIBSYSA-N
XLogP-0.62
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonylpentan-2-amine
CID 64703768
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
2-propylsulfonylpropan-1-amine
CID 64697615
2-methylsulfonylpropane
CID 163990602
(2S)-propane-1,2-diamine
CID 642322
2-methylsulfonylpentan-3-amine
CID 62784392
6-methylsulfonylhept-3-en-2-one
CID 57311743
palladium;propane-1,2-diamine
CID 87255476
4-methyl-2-methylsulfonylhexan-3-amine
CID 105017498
azane;phosphoric acid;propane-1,2-diamine;sulfuric acid
CID 175414223
2-methylsulfonyloctane
CID 121274607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfonylpropan-1-amine?
The IUPAC name of (2R)-2-methylsulfonylpropan-1-amine (CID 87577997) is (2R)-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for (2R)-2-methylsulfonylpropan-1-amine?
The canonical SMILES for (2R)-2-methylsulfonylpropan-1-amine is C[C@H](CN)S(C)(=O)=O.
What is the InChIKey of (2R)-2-methylsulfonylpropan-1-amine?
The InChIKey is PXTJZUBIUFLKMD-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(3-5)8(2,6)7/h4H,3,5H2,1-2H3/t4-/m1/s1.
What are the key properties of (2R)-2-methylsulfonylpropan-1-amine?
(2R)-2-methylsulfonylpropan-1-amine has a molecular weight of 137.20 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 87577997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).