2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine

C10H19N3O2S — CID 79551486

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
SMILESCn1cc(CNCC(C)(C)S(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-10(2,16(4,14)15)8-11-5-9-6-12-13(3)7-9/h6-7,11H,5,8H2,1-4H3
InChIKeyBMQSCYZVTSJHPF-UHFFFAOYSA-N
MW245.35 g/mol
LogP0.33
Rot. Bonds5

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine (PubChem CID 79551486) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
PubChem CID79551486
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine
SMILESCn1cc(CNCC(C)(C)S(C)(=O)=O)cn1
InChIInChI=1S/C10H19N3O2S/c1-10(2,16(4,14)15)8-11-5-9-6-12-13(3)7-9/h6-7,11H,5,8H2,1-4H3
InChIKeyBMQSCYZVTSJHPF-UHFFFAOYSA-N
XLogP0.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
2,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]propan-1-ol
CID 81411652
2-methyl-2-methylsulfonyl-N-(pyrimidin-5-ylmethyl)propan-1-amine
CID 79551978
2,3-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]butan-2-ol
CID 111118581
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 54886659
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzenesulfonamide
CID 28600347
2,5-dimethyl-1-[(1-methylpyrazol-4-yl)methylamino]hexan-2-ol
CID 111449388
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
N-[1-[(1-tert-butylpyrazol-4-yl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858908
4-[[(1-methylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 19624593
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 54979175

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine (CID 79551486) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine is Cn1cc(CNCC(C)(C)S(C)(=O)=O)cn1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine?
The InChIKey is BMQSCYZVTSJHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-10(2,16(4,14)15)8-11-5-9-6-12-13(3)7-9/h6-7,11H,5,8H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine has a molecular weight of 245.35 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfonylpropan-1-amine is sourced from PubChem (CID 79551486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).