2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine

C9H17N3O2S — CID 81202080

IUPAC2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3O2S/c1-8(3-10)6-15(13,14)7-9-4-11-12(2)5-9/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyOJFSNRVZQBQISW-UHFFFAOYSA-N
MW231.32 g/mol
LogP-0.07
Rot. Bonds5

About 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine

2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine (PubChem CID 81202080) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
PubChem CID81202080
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine
SMILESCC(CN)CS(=O)(=O)Cc1cnn(C)c1
InChIInChI=1S/C9H17N3O2S/c1-8(3-10)6-15(13,14)7-9-4-11-12(2)5-9/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyOJFSNRVZQBQISW-UHFFFAOYSA-N
XLogP-0.07
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 62505178
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
4-(azetidin-3-ylmethylsulfonylmethyl)-1-methylpyrazole
CID 81197067
3-[(1-methylpyrazol-4-yl)methylsulfonyl]butanoic acid
CID 66115922
5-(difluoromethyl)-1-methyl-4-[(1-methylpyrazol-4-yl)methylsulfonylmethyl]triazole
CID 166373207
4-(2-benzylsulfonylethyl)-1-methylpyrazole
CID 126828701
2-methyl-3-(1,3-thiazol-5-ylmethylsulfonyl)propan-1-amine
CID 112645685
(2R)-2-(aminomethyl)-3-(1-methylpyrazol-4-yl)propanoic acid
CID 29061487
4-(aminomethyl)-5-methyl-1-(1-methylpyrazol-4-yl)hexan-3-one
CID 103023754
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
2-methyl-3-(2-pyrazol-1-ylethylsulfonyl)propan-1-amine
CID 81198035
2-[(1-methylpyrazol-4-yl)methyl]pentan-1-amine
CID 62505722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine?
The IUPAC name of 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine (CID 81202080) is 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine?
The canonical SMILES for 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine is CC(CN)CS(=O)(=O)Cc1cnn(C)c1.
What is the InChIKey of 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine?
The InChIKey is OJFSNRVZQBQISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-8(3-10)6-15(13,14)7-9-4-11-12(2)5-9/h4-5,8H,3,6-7,10H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine?
2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine has a molecular weight of 231.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrazol-4-yl)methylsulfonyl]propan-1-amine is sourced from PubChem (CID 81202080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).