N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine

C10H19N3O2S — CID 104629114

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccn(C)n1
InChIInChI=1S/C10H19N3O2S/c1-9(8-16(3,14)15)11-6-4-10-5-7-13(2)12-10/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyXMQBUPQOMIQUFY-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.01
Rot. Bonds6

About N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine

N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine (PubChem CID 104629114) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
PubChem CID104629114
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine
SMILESCC(CS(C)(=O)=O)NCCc1ccn(C)n1
InChIInChI=1S/C10H19N3O2S/c1-9(8-16(3,14)15)11-6-4-10-5-7-13(2)12-10/h5,7,9,11H,4,6,8H2,1-3H3
InChIKeyXMQBUPQOMIQUFY-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methylsulfonyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 80682240
4-[2-(1-methylpyrazol-3-yl)ethylamino]pentanoic acid
CID 106104330
N-[2-(1-methylpyrazol-3-yl)ethyl]-4-phenylbutan-2-amine
CID 104626268
1-methylsulfonyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 64629702
1-cyclopentyl-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629165
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
1-(1-methylcyclopropyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629143
1-methylsulfonyl-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 64630354
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
3-(ethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]butanamide
CID 114143955
N-(methylcarbamoyl)-2-[2-(1-methylpyrazol-3-yl)ethylamino]propanamide
CID 113434460

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine (CID 104629114) is N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine is CC(CS(C)(=O)=O)NCCc1ccn(C)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine?
The InChIKey is XMQBUPQOMIQUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-9(8-16(3,14)15)11-6-4-10-5-7-13(2)12-10/h5,7,9,11H,4,6,8H2,1-3H3.
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine?
N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine has a molecular weight of 245.35 g/mol, XLogP of -0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-1-methylsulfonylpropan-2-amine is sourced from PubChem (CID 104629114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).