3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol

C15H24N2O3S — CID 62480272

IUPAC3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1cccc(CS(=O)(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C15H24N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17-8-2-6-15(17)7-3-9-18/h1,4-5,10,15,18H,2-3,6-9,11-12,16H2
InChIKeyNGGRIHRUMUJIFF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.21
Rot. Bonds7

About 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol

3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62480272) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62480272
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol
SMILESNCc1cccc(CS(=O)(=O)N2CCCC2CCCO)c1
InChIInChI=1S/C15H24N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17-8-2-6-15(17)7-3-9-18/h1,4-5,10,15,18H,2-3,6-9,11-12,16H2
InChIKeyNGGRIHRUMUJIFF-UHFFFAOYSA-N
XLogP1.21
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidin-2-yl]methanamine
CID 124695078
3-[1-(2-phenylethylsulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469370
[4-[(2-ethylpyrrolidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 54885835
[1-[[4-(aminomethyl)phenyl]methylsulfonyl]piperidin-2-yl]methanol
CID 43579017
1-[[3-(aminomethyl)phenyl]methylsulfonyl]piperidin-3-ol
CID 54885391
[3-[(2,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62332486
1-benzylsulfonyl-2-decylpyrrolidine
CID 59852625
3-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 66260603
3-[[2-(aminomethyl)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115312346
N-[3-(aminomethyl)phenyl]-2-(3-hydroxypropyl)pyrrolidine-1-carboxamide
CID 62478156
(2S)-1-[(3-methylphenyl)methylsulfonyl]pyrrolidine-2-carboxamide
CID 110867520
3-[1-(benzenesulfonyl)pyrrolidin-2-yl]propan-1-ol
CID 62469186

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol (CID 62480272) is 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol is NCc1cccc(CS(=O)(=O)N2CCCC2CCCO)c1.
What is the InChIKey of 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NGGRIHRUMUJIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c16-11-13-4-1-5-14(10-13)12-21(19,20)17-8-2-6-15(17)7-3-9-18/h1,4-5,10,15,18H,2-3,6-9,11-12,16H2.
What are the key properties of 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 312.44 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(aminomethyl)phenyl]methylsulfonyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62480272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).