[4-(heptylsulfonylmethyl)phenyl]methanamine

C15H25NO2S — CID 82182637

IUPAC[4-(heptylsulfonylmethyl)phenyl]methanamine
SMILESCCCCCCCS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-11-19(17,18)13-15-9-7-14(12-16)8-10-15/h7-10H,2-6,11-13,16H2,1H3
InChIKeyVDHWEXXLVQRPFG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.03
Rot. Bonds9

About [4-(heptylsulfonylmethyl)phenyl]methanamine

[4-(heptylsulfonylmethyl)phenyl]methanamine (PubChem CID 82182637) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is [4-(heptylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(heptylsulfonylmethyl)phenyl]methanamine
PubChem CID82182637
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name[4-(heptylsulfonylmethyl)phenyl]methanamine
SMILESCCCCCCCS(=O)(=O)Cc1ccc(CN)cc1
InChIInChI=1S/C15H25NO2S/c1-2-3-4-5-6-11-19(17,18)13-15-9-7-14(12-16)8-10-15/h7-10H,2-6,11-13,16H2,1H3
InChIKeyVDHWEXXLVQRPFG-UHFFFAOYSA-N
XLogP3.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(aminomethyl)phenyl]-N-octylmethanesulfonamide
CID 115567343
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
[5-(pentylsulfonylmethyl)furan-2-yl]methanamine
CID 107758648
4-(butylsulfonylmethyl)benzoic acid
CID 43615606
2-[(4-ethylphenyl)methylsulfonyl]ethanamine
CID 79017600
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
[4-(3-ethylsulfonylpropoxy)phenyl]methanamine
CID 64697792
(4-hexylphenyl)methanesulfonic acid
CID 87108805
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693
1-(octylsulfonylmethylsulfonyl)octane
CID 3455822
N-[4-(aminomethyl)phenyl]-3-butylsulfonylpropanamide
CID 64696802

Frequently Asked Questions

What is the IUPAC name of [4-(heptylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [4-(heptylsulfonylmethyl)phenyl]methanamine (CID 82182637) is [4-(heptylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [4-(heptylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [4-(heptylsulfonylmethyl)phenyl]methanamine is CCCCCCCS(=O)(=O)Cc1ccc(CN)cc1.
What is the InChIKey of [4-(heptylsulfonylmethyl)phenyl]methanamine?
The InChIKey is VDHWEXXLVQRPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-2-3-4-5-6-11-19(17,18)13-15-9-7-14(12-16)8-10-15/h7-10H,2-6,11-13,16H2,1H3.
What are the key properties of [4-(heptylsulfonylmethyl)phenyl]methanamine?
[4-(heptylsulfonylmethyl)phenyl]methanamine has a molecular weight of 283.44 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(heptylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 82182637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).