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

C11H20N4O2S — CID 154745000

IUPACN-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine
SMILESCN(Cc1ccn(C)n1)C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H20N4O2S/c1-13(8-10-4-6-14(2)12-10)11-5-7-15(9-11)18(3,16)17/h4,6,11H,5,7-9H2,1-3H3
InChIKeyHULXIGBVGYSOGE-UHFFFAOYSA-N
MW272.37 g/mol
LogP-0.11
Rot. Bonds4

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

N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine (PubChem CID 154745000) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine
PubChem CID154745000
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine
SMILESCN(Cc1ccn(C)n1)C1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C11H20N4O2S/c1-13(8-10-4-6-14(2)12-10)11-5-7-15(9-11)18(3,16)17/h4,6,11H,5,7-9H2,1-3H3
InChIKeyHULXIGBVGYSOGE-UHFFFAOYSA-N
XLogP-0.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-ethyl-N-methyl-1-methylsulfonylpyrrolidin-3-amine
CID 67580808
(6R)-N,N-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]-4-methylsulfonyl-1,4-diazepane-6-carboxamide
CID 124957197
1-N,4-N-dimethyl-4-N-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1,4-diamine
CID 82866259
1-methyl-N-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-amine
CID 79778965
1-methyl-1-[(1-methylpyrazol-3-yl)methyl]hydrazine
CID 123416642
N'-cyclopropyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866808
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-methylsulfonylpiperidin-4-amine
CID 71970602
N-methyl-1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79610045
[1-(1-methylpyrazol-3-yl)-2-(1-methylsulfonylpiperidin-3-yl)ethyl]hydrazine
CID 105228709
2-[cyclopentyl-[(1-methylpyrazol-3-yl)methyl]amino]ethanol
CID 82878038
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrrolidin-3-amine
CID 114144133

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine (CID 154745000) is N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine is CN(Cc1ccn(C)n1)C1CCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine?
The InChIKey is HULXIGBVGYSOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-13(8-10-4-6-14(2)12-10)11-5-7-15(9-11)18(3,16)17/h4,6,11H,5,7-9H2,1-3H3.
What are the key properties of N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine?
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine has a molecular weight of 272.37 g/mol, XLogP of -0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfonylpyrrolidin-3-amine is sourced from PubChem (CID 154745000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).