(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine

C10H19N3O2S — CID 95613999

IUPAC(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCCS(C)(=O)=O)[C@@H](C)n1cccn1
InChIInChI=1S/C10H19N3O2S/c1-9(11-6-8-16(3,14)15)10(2)13-7-4-5-12-13/h4-5,7,9-11H,6,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFVFHDVTUYJIWML-VHSXEESVSA-N
MW245.35 g/mol
LogP0.47
Rot. Bonds6

About (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95613999) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
PubChem CID95613999
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCCS(C)(=O)=O)[C@@H](C)n1cccn1
InChIInChI=1S/C10H19N3O2S/c1-9(11-6-8-16(3,14)15)10(2)13-7-4-5-12-13/h4-5,7,9-11H,6,8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFVFHDVTUYJIWML-VHSXEESVSA-N
XLogP0.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-pyrazol-1-yl)-1lambda6-thiolane-1,1-dione
CID 43531677
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CID 43807774
3-(1H-pyrazol-1-yl)propane-1-sulfonamide
CID 137964717
1-(1,1-Dioxothietan-3-yl)-1h-pyrazole
CID 166121619
1-(4-methylpyrazol-1-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 53574503
1-(4-methylpyrazol-1-yl)-N-(3-methylsulfonylpropyl)propan-2-amine
CID 53608689
2-(4-methylpyrazol-1-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 53617571
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-methylsulfonylpropan-1-amine
CID 56780259
3-[1-(4-Methylpyrazol-1-yl)propan-2-ylamino]propane-1-sulfonamide
CID 56780296
3-(4-methylpyrazol-1-yl)-N-[2-(trifluoromethylsulfonyl)ethyl]butan-2-amine
CID 56803205
N-(2-methyl-2-methylsulfonylpropyl)-1-propylpyrazol-4-amine
CID 75393034
N-(2-methylsulfonylethyl)-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 64178152

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine (CID 95613999) is (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCCS(C)(=O)=O)[C@@H](C)n1cccn1.
What is the InChIKey of (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is FVFHDVTUYJIWML-VHSXEESVSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(11-6-8-16(3,14)15)10(2)13-7-4-5-12-13/h4-5,7,9-11H,6,8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 245.35 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(2-methylsulfonylethyl)-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95613999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).