N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine

C10H19N3O2S — CID 115977569

IUPACN-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-10(11-6-9-16(2,14)15)4-8-13-7-3-5-12-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3
InChIKeyOYOQNPYDWRYBIQ-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.30
Rot. Bonds7

About N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine

N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine (PubChem CID 115977569) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
PubChem CID115977569
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
SMILESCC(CCn1cccn1)NCCS(C)(=O)=O
InChIInChI=1S/C10H19N3O2S/c1-10(11-6-9-16(2,14)15)4-8-13-7-3-5-12-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3
InChIKeyOYOQNPYDWRYBIQ-UHFFFAOYSA-N
XLogP0.30
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
(2R)-1-(4-pyrazol-1-ylbutan-2-ylamino)propan-2-ol
CID 103952260
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
N-methyl-2-(4-pyrazol-1-ylbutan-2-ylamino)acetamide
CID 115977436
(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95613999
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
5-[2-[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]ethyl]-1H-1,2,4-triazol-3-amine
CID 125437408
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
N-(cyclobutylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977534
2,2-dimethyl-3-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 115977842
(2S)-2-(4-pyrazol-1-ylbutan-2-ylamino)propan-1-ol
CID 103952125

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine (CID 115977569) is N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine is CC(CCn1cccn1)NCCS(C)(=O)=O.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine?
The InChIKey is OYOQNPYDWRYBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(11-6-9-16(2,14)15)4-8-13-7-3-5-12-13/h3,5,7,10-11H,4,6,8-9H2,1-2H3.
What are the key properties of N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine?
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine has a molecular weight of 245.35 g/mol, XLogP of 0.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 115977569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).