(4-propylsulfonylphenyl)methanamine

C10H15NO2S — CID 57438061

IUPAC(4-propylsulfonylphenyl)methanamine
SMILESCCCS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyGWNVEZCWRGNXON-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.33
Rot. Bonds4

About (4-propylsulfonylphenyl)methanamine

(4-propylsulfonylphenyl)methanamine (PubChem CID 57438061) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is (4-propylsulfonylphenyl)methanamine.

Molecular Properties

Compound Name(4-propylsulfonylphenyl)methanamine
PubChem CID57438061
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name(4-propylsulfonylphenyl)methanamine
SMILESCCCS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C10H15NO2S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKeyGWNVEZCWRGNXON-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-propylsulfonylphenyl)methanamine
CID 83926717
[4-(2-chloroethylsulfonyl)phenyl]methanamine
CID 19105459
[4-(2-pentylsulfanylethylsulfonyl)phenyl]methanamine
CID 107752221
[4-(3-fluoropropylsulfonyl)phenyl]methanamine
CID 84694587
3-[4-(aminomethyl)phenyl]sulfonyl-N-[3-[4-(aminomethyl)phenyl]sulfonylpropyl]-N-methylpropan-1-amine
CID 70313018
4-propylsulfonylbenzenesulfonic acid
CID 163962227
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
3,3-dimethyl-1-(4-propylsulfonylphenyl)butan-2-ol
CID 63200994
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
3-(4-propylsulfonylphenyl)propanoic acid
CID 43140837
4-[(4-propylsulfonylanilino)methyl]aniline
CID 60874910
[5-(4-propylsulfonylphenyl)sulfonylthiophen-2-yl]methanamine
CID 158924198

Frequently Asked Questions

What is the IUPAC name of (4-propylsulfonylphenyl)methanamine?
The IUPAC name of (4-propylsulfonylphenyl)methanamine (CID 57438061) is (4-propylsulfonylphenyl)methanamine.
What is the SMILES notation for (4-propylsulfonylphenyl)methanamine?
The canonical SMILES for (4-propylsulfonylphenyl)methanamine is CCCS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of (4-propylsulfonylphenyl)methanamine?
The InChIKey is GWNVEZCWRGNXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-7-14(12,13)10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3.
What are the key properties of (4-propylsulfonylphenyl)methanamine?
(4-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 (4-propylsulfonylphenyl)methanamine is sourced from PubChem (CID 57438061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).