(3-propylsulfonylphenyl)methanamine

C10H15NO2S — CID 83926717

IUPAC(3-propylsulfonylphenyl)methanamine
SMILESCCCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H15NO2S/c1-2-6-14(12,13)10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyYUTHSLQYBXQQQH-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.33
Rot. Bonds4

About (3-propylsulfonylphenyl)methanamine

(3-propylsulfonylphenyl)methanamine (PubChem CID 83926717) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (3-propylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(3-propylsulfonylphenyl)methanamine
PubChem CID83926717
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(3-propylsulfonylphenyl)methanamine
SMILESCCCS(=O)(=O)c1cccc(CN)c1
InChIInChI=1S/C10H15NO2S/c1-2-6-14(12,13)10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3
InChIKeyYUTHSLQYBXQQQH-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
(4-propylsulfonylphenyl)methanamine
CID 57438061
[3-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694590
[3-[2-(2-methylbutylsulfanyl)ethylsulfonyl]phenyl]methanamine
CID 107752285
3-(aminomethyl)-N,N-dipropylbenzenesulfonamide
CID 16791515
[3-(2,2-difluoropropylsulfonyl)phenyl]methanamine
CID 84706979
[3-[2-(3-methylbutan-2-ylsulfinyl)ethylsulfonyl]phenyl]methanamine
CID 107767054
4-[2-(3-propylsulfonylphenyl)ethyl]-2H-triazole
CID 112717713
1-(2-methylbut-3-enyl)-3-propylsulfonylbenzene
CID 83926750
[3-(4-methylphenyl)sulfonylphenyl]methanamine
CID 117036589
2-(3-ethylphenyl)sulfonylethanol
CID 71143156
[3-[2-(oxetan-3-yloxy)ethylsulfonyl]phenyl]methanamine
CID 102605751

Frequently Asked Questions

What is the IUPAC name of (3-propylsulfonylphenyl)methanamine?
The IUPAC name of (3-propylsulfonylphenyl)methanamine (CID 83926717) is (3-propylsulfonylphenyl)methanamine.
What is the SMILES notation for (3-propylsulfonylphenyl)methanamine?
The canonical SMILES for (3-propylsulfonylphenyl)methanamine is CCCS(=O)(=O)c1cccc(CN)c1.
What is the InChIKey of (3-propylsulfonylphenyl)methanamine?
The InChIKey is YUTHSLQYBXQQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-6-14(12,13)10-5-3-4-9(7-10)8-11/h3-5,7H,2,6,8,11H2,1H3.
What are the key properties of (3-propylsulfonylphenyl)methanamine?
(3-propylsulfonylphenyl)methanamine has a molecular weight of 213.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylsulfonylphenyl)methanamine is sourced from PubChem (CID 83926717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).