1-cyclopropylsulfonylpropan-2-amine

C6H13NO2S — CID 84651728

IUPAC1-cyclopropylsulfonylpropan-2-amine
SMILESCC(N)CS(=O)(=O)C1CC1
InChIInChI=1S/C6H13NO2S/c1-5(7)4-10(8,9)6-2-3-6/h5-6H,2-4,7H2,1H3
InChIKeyRVDLLGDRZITJPG-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.09
Rot. Bonds3

About 1-cyclopropylsulfonylpropan-2-amine

1-cyclopropylsulfonylpropan-2-amine (PubChem CID 84651728) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 1-cyclopropylsulfonylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonylpropan-2-amine
PubChem CID84651728
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name1-cyclopropylsulfonylpropan-2-amine
SMILESCC(N)CS(=O)(=O)C1CC1
InChIInChI=1S/C6H13NO2S/c1-5(7)4-10(8,9)6-2-3-6/h5-6H,2-4,7H2,1H3
InChIKeyRVDLLGDRZITJPG-UHFFFAOYSA-N
XLogP-0.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonylpropan-2-amine?
The IUPAC name of 1-cyclopropylsulfonylpropan-2-amine (CID 84651728) is 1-cyclopropylsulfonylpropan-2-amine.
What is the SMILES notation for 1-cyclopropylsulfonylpropan-2-amine?
The canonical SMILES for 1-cyclopropylsulfonylpropan-2-amine is CC(N)CS(=O)(=O)C1CC1.
What is the InChIKey of 1-cyclopropylsulfonylpropan-2-amine?
The InChIKey is RVDLLGDRZITJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-5(7)4-10(8,9)6-2-3-6/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-cyclopropylsulfonylpropan-2-amine?
1-cyclopropylsulfonylpropan-2-amine has a molecular weight of 163.24 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonylpropan-2-amine is sourced from PubChem (CID 84651728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).