N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine

C8H14N4O2S — CID 115300228

IUPACN-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C8H14N4O2S/c1-9-7-2-3-12(6-7)15(13,14)8-4-10-11-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,10,11)
InChIKeyAYLILKHKZLVHHC-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.61
Rot. Bonds3

About N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine

N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine (PubChem CID 115300228) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
PubChem CID115300228
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
SMILESCNC1CCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C8H14N4O2S/c1-9-7-2-3-12(6-7)15(13,14)8-4-10-11-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,10,11)
InChIKeyAYLILKHKZLVHHC-UHFFFAOYSA-N
XLogP-0.61
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
4-(chloromethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 63400920
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
CID 47268244
1-(1H-pyrazol-4-ylsulfonyl)azepane
CID 60911155
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-one
CID 114508574
N-methyl-1-[(2-methyl-1H-imidazol-5-yl)sulfonyl]pyrrolidin-3-amine
CID 115300233
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylpyrrolidin-3-amine
CID 115300298

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine (CID 115300228) is N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine is CNC1CCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine?
The InChIKey is AYLILKHKZLVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-9-7-2-3-12(6-7)15(13,14)8-4-10-11-5-8/h4-5,7,9H,2-3,6H2,1H3,(H,10,11).
What are the key properties of N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine?
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine has a molecular weight of 230.29 g/mol, XLogP of -0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 115300228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).