(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine

C15H21N3O2S — CID 95279364

IUPAC(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-14(13-18-11-5-10-17-18)16-9-6-12-21(19,20)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3/t14-/m1/s1
InChIKeyLMSKFXMZSUBZKR-CQSZACIVSA-N
MW307.42 g/mol
LogP1.73
Rot. Bonds8

About (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine

(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95279364) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95279364
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@H](Cn1cccn1)NCCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H21N3O2S/c1-14(13-18-11-5-10-17-18)16-9-6-12-21(19,20)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3/t14-/m1/s1
InChIKeyLMSKFXMZSUBZKR-CQSZACIVSA-N
XLogP1.73
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
CID 95279961
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95318530
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
(2S,3R)-N-[2-(benzenesulfonyl)ethyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345902
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072
1-pyrazol-1-yl-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 63264733
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine (CID 95279364) is (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine is C[C@H](Cn1cccn1)NCCCS(=O)(=O)c1ccccc1.
What is the InChIKey of (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is LMSKFXMZSUBZKR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-14(13-18-11-5-10-17-18)16-9-6-12-21(19,20)15-7-3-2-4-8-15/h2-5,7-8,10-11,14,16H,6,9,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine?
(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 307.42 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95279364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).