[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine

C14H22N2O2S — CID 54885835

IUPAC[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCCC1CCCN1S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-14-4-3-9-16(14)19(17,18)11-13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyYNCMHEPHNFHXIL-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.85
Rot. Bonds5

About [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine

[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine (PubChem CID 54885835) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
PubChem CID54885835
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
SMILESCCC1CCCN1S(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C14H22N2O2S/c1-2-14-4-3-9-16(14)19(17,18)11-13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3
InChIKeyYNCMHEPHNFHXIL-UHFFFAOYSA-N
XLogP1.85
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylsulfonylmethyl)phenyl]methanamine
CID 65319374
2-ethyl-1-[(4-nitrophenyl)methylsulfonyl]piperidine
CID 75872721
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
CID 62480272
[4-[(4-methylazepan-1-yl)sulfonylmethyl]phenyl]methanamine
CID 63623208
[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
[(2S)-1-(pyridin-4-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 97165454
[6-(2-ethylazepan-1-yl)sulfonyl-3-pyridinyl]methanamine
CID 104692865
N-[[1-[(4-ethylphenyl)methylsulfonyl]piperidin-2-yl]methyl]methanesulfonamide
CID 136532112
1-(chloromethylsulfonyl)-2-ethylpyrrolidine
CID 63666632
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099

Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The IUPAC name of [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine (CID 54885835) is [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine is CCC1CCCN1S(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine?
The InChIKey is YNCMHEPHNFHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-14-4-3-9-16(14)19(17,18)11-13-7-5-12(10-15)6-8-13/h5-8,14H,2-4,9-11,15H2,1H3.
What are the key properties of [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine?
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine has a molecular weight of 282.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine is sourced from PubChem (CID 54885835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).