(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine

C8H15N3O2S — CID 68653226

IUPAC(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1c(S(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-4-6(9)8-7(14(3,12)13)5-10-11(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeyBDUGUXSPNNUBBR-LURJTMIESA-N
MW217.29 g/mol
LogP0.23
Rot. Bonds3

About (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine

(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine (PubChem CID 68653226) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine
PubChem CID68653226
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine
SMILESCC[C@H](N)c1c(S(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-4-6(9)8-7(14(3,12)13)5-10-11(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1
InChIKeyBDUGUXSPNNUBBR-LURJTMIESA-N
XLogP0.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine?
The IUPAC name of (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine (CID 68653226) is (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine.
What is the SMILES notation for (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine?
The canonical SMILES for (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine is CC[C@H](N)c1c(S(C)(=O)=O)cnn1C.
What is the InChIKey of (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine?
The InChIKey is BDUGUXSPNNUBBR-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-4-6(9)8-7(14(3,12)13)5-10-11(8)2/h5-6H,4,9H2,1-3H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine?
(1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine has a molecular weight of 217.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methyl-4-methylsulfonylpyrazol-5-yl)propan-1-amine is sourced from PubChem (CID 68653226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).