(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

C15H21N3O2S — CID 95318530

IUPAC(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H21N3O2S/c1-13-10-17-18(11-13)12-14(2)16-8-9-21(19,20)15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m1/s1
InChIKeyOMFDHIBZJFDBRD-CQSZACIVSA-N
MW307.42 g/mol
LogP1.64
Rot. Bonds7

About (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine

(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (PubChem CID 95318530) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
PubChem CID95318530
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCCS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C15H21N3O2S/c1-13-10-17-18(11-13)12-14(2)16-8-9-21(19,20)15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m1/s1
InChIKeyOMFDHIBZJFDBRD-CQSZACIVSA-N
XLogP1.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279364
1-[5-(benzenesulfonyl)pentyl]-4-methylpyrazole
CID 99120854
3-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]-N-[(1S)-1-phenylethyl]propanamide
CID 95301284
(2S)-1-(4-methylpyrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 95298841
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
(2S)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 95750525
(2R)-1-[2-(benzenesulfonyl)ethyl]-2-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 95750526
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
(2S)-N-[2-(4-methylpyrazol-1-yl)ethyl]-4-phenylbutan-2-amine
CID 95607721
(2S,3R)-N-[2-(benzenesulfonyl)ethyl]-3-pyrazol-1-ylbutan-2-amine
CID 95345902

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The IUPAC name of (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine (CID 95318530) is (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is Cc1cnn(C[C@@H](C)NCCS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
The InChIKey is OMFDHIBZJFDBRD-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-13-10-17-18(11-13)12-14(2)16-8-9-21(19,20)15-6-4-3-5-7-15/h3-7,10-11,14,16H,8-9,12H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine?
(2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine has a molecular weight of 307.42 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(benzenesulfonyl)ethyl]-1-(4-methylpyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 95318530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).