N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

C9H16N4O2S — CID 115300352

IUPACN-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C9H16N4O2S/c1-10-8-3-4-13(6-8)16(14,15)9-5-11-12(2)7-9/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyILTNYUPUFOOXTO-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.60
Rot. Bonds3

About N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine

N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (PubChem CID 115300352) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
PubChem CID115300352
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C9H16N4O2S/c1-10-8-3-4-13(6-8)16(14,15)9-5-11-12(2)7-9/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyILTNYUPUFOOXTO-UHFFFAOYSA-N
XLogP-0.60
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
5-[3-(methylamino)pyrrolidin-1-yl]sulfonylpyridine-2-carbonitrile
CID 115752142
2-fluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]prop-2-enamide
CID 166417594

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine (CID 115300352) is N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
The InChIKey is ILTNYUPUFOOXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-10-8-3-4-13(6-8)16(14,15)9-5-11-12(2)7-9/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine?
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine has a molecular weight of 244.32 g/mol, XLogP of -0.60, 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-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 115300352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).