N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine

C10H18N4O2S — CID 91812382

IUPACN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
SMILESCNC1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13(4)12-7)17(15,16)14-5-9(6-14)11-3/h9,11H,5-6H2,1-4H3
InChIKeyZEUSSLZLZUAGEU-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.37
Rot. Bonds3

About N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine

N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine (PubChem CID 91812382) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
PubChem CID91812382
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC NameN-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine
SMILESCNC1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1
InChIInChI=1S/C10H18N4O2S/c1-7-10(8(2)13(4)12-7)17(15,16)14-5-9(6-14)11-3/h9,11H,5-6H2,1-4H3
InChIKeyZEUSSLZLZUAGEU-UHFFFAOYSA-N
XLogP-0.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 121184119
N-methyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119977934
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 66291193
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 113282433
(3S,4S)-4-(dimethylamino)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-ol
CID 125419860
N-[(3S,4R)-4-propan-2-yl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 70742820
4-(3,3-difluoroazetidin-1-yl)sulfonyl-1,3,5-trimethylpyrazole
CID 122269495
4-methylsulfonyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine
CID 90586561
(3R)-3,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonyl-3,6-dihydro-2H-pyridine
CID 164631248
N-(cyclopropylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987891
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
CID 114498903
(3S,4S)-4-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxylic acid;hydrochloride
CID 120961700

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine?
The IUPAC name of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine (CID 91812382) is N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine.
What is the SMILES notation for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine?
The canonical SMILES for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine is CNC1CN(S(=O)(=O)c2c(C)nn(C)c2C)C1.
What is the InChIKey of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine?
The InChIKey is ZEUSSLZLZUAGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-7-10(8(2)13(4)12-7)17(15,16)14-5-9(6-14)11-3/h9,11H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine?
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine has a molecular weight of 258.35 g/mol, XLogP of -0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylazetidin-3-amine is sourced from PubChem (CID 91812382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).