1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine

C12H21N3O2S — CID 81190022

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-18(16,17)9-11-6-7-15(14-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,13H2,1H3
InChIKeyGJQNUGSVZZBHFS-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.26
Rot. Bonds5

About 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine

1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine (PubChem CID 81190022) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
PubChem CID81190022
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
SMILESCC(N)CS(=O)(=O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C12H21N3O2S/c1-10(13)8-18(16,17)9-11-6-7-15(14-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,13H2,1H3
InChIKeyGJQNUGSVZZBHFS-UHFFFAOYSA-N
XLogP1.26
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine (CID 81190022) is 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine is CC(N)CS(=O)(=O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine?
The InChIKey is GJQNUGSVZZBHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10(13)8-18(16,17)9-11-6-7-15(14-11)12-4-2-3-5-12/h6-7,10,12H,2-5,8-9,13H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine?
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine has a molecular weight of 271.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine is sourced from PubChem (CID 81190022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).