[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine

C9H17N5O2S — CID 129496227

IUPAC[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESCS(=O)(=O)N1CC[C@H](Cn2cc(CN)nn2)C1
InChIInChI=1S/C9H17N5O2S/c1-17(15,16)14-3-2-8(6-14)5-13-7-9(4-10)11-12-13/h7-8H,2-6,10H2,1H3/t8-/m1/s1
InChIKeySVQVEZBSUVWKSH-MRVPVSSYSA-N
MW259.33 g/mol
LogP-0.98
Rot. Bonds4

About [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine

[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine (PubChem CID 129496227) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
PubChem CID129496227
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine
SMILESCS(=O)(=O)N1CC[C@H](Cn2cc(CN)nn2)C1
InChIInChI=1S/C9H17N5O2S/c1-17(15,16)14-3-2-8(6-14)5-13-7-9(4-10)11-12-13/h7-8H,2-6,10H2,1H3/t8-/m1/s1
InChIKeySVQVEZBSUVWKSH-MRVPVSSYSA-N
XLogP-0.98
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
(3S)-3-[[4-[(3,3-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 30877153
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227548
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
1-ethylsulfonyl-4-[[4-(pyrrolidin-1-ylmethyl)triazol-1-yl]methyl]piperidine
CID 28767502
[1-(1-methylsulfonylazetidin-3-yl)triazol-4-yl]methanamine
CID 121208761
[1-(piperidin-4-ylmethyl)triazol-4-yl]methanamine
CID 121208781
1-[(3S)-3-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]ethanone
CID 129495741
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
[1-[(1-hept-4-enylpiperidin-4-yl)methyl]triazol-4-yl]methanamine
CID 74610335
[1-[[(2R)-1-methylpiperidin-2-yl]methyl]triazol-4-yl]methanamine
CID 129496715
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257

Frequently Asked Questions

What is the IUPAC name of [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine (CID 129496227) is [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine is CS(=O)(=O)N1CC[C@H](Cn2cc(CN)nn2)C1.
What is the InChIKey of [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is SVQVEZBSUVWKSH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-17(15,16)14-3-2-8(6-14)5-13-7-9(4-10)11-12-13/h7-8H,2-6,10H2,1H3/t8-/m1/s1.
What are the key properties of [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine?
[1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 259.33 g/mol, XLogP of -0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 129496227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).