N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine

C10H17N3O2S — CID 154734066

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
SMILESCn1nccc1CNC1CC(S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-13-9(3-4-12-13)7-11-8-5-10(6-8)16(2,14)15/h3-4,8,10-11H,5-7H2,1-2H3
InChIKeyYUJMUATYYGJIQQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.09
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine

N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine (PubChem CID 154734066) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
PubChem CID154734066
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine
SMILESCn1nccc1CNC1CC(S(C)(=O)=O)C1
InChIInChI=1S/C10H17N3O2S/c1-13-9(3-4-12-13)7-11-8-5-10(6-8)16(2,14)15/h3-4,8,10-11H,5-7H2,1-2H3
InChIKeyYUJMUATYYGJIQQ-UHFFFAOYSA-N
XLogP0.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43663386
4-N-[(2-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 62320335
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-amine
CID 79740865
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 43747132
trans-(1R,3R)-N-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-3-methylsulfonylcyclohexan-1-amine
CID 124864063
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]oxolan-3-amine
CID 115335743
4-(2-methylbutan-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 43435287
N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-3-sulfonamide
CID 65418761
4-[(cyclopropylamino)methyl]-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-5-sulfonamide
CID 106064942
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
N-[(2-methylpyrazol-3-yl)methyl]-2-propylsulfonylethanamine
CID 106723723

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine (CID 154734066) is N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine is Cn1nccc1CNC1CC(S(C)(=O)=O)C1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine?
The InChIKey is YUJMUATYYGJIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13-9(3-4-12-13)7-11-8-5-10(6-8)16(2,14)15/h3-4,8,10-11H,5-7H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine?
N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine has a molecular weight of 243.33 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylcyclobutan-1-amine is sourced from PubChem (CID 154734066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).