[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine

C11H16ClNO2S — CID 102670591

IUPAC[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
SMILESCCCS(=O)(=O)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-2-5-16(14,15)8-10-4-3-9(7-13)6-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyDCNKIDCGHTZYAH-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.12
Rot. Bonds5

About [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine

[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine (PubChem CID 102670591) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
PubChem CID102670591
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine
SMILESCCCS(=O)(=O)Cc1ccc(CN)cc1Cl
InChIInChI=1S/C11H16ClNO2S/c1-2-5-16(14,15)8-10-4-3-9(7-13)6-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3
InChIKeyDCNKIDCGHTZYAH-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-(propan-2-ylsulfonylmethyl)phenyl]methanamine
CID 102670600
[4-methoxy-3-(propylsulfonylmethyl)phenyl]methanamine
CID 64646888
tert-butyl 2-[[4-(aminomethyl)-2-chlorophenyl]methylsulfonyl]acetate
CID 102670663
[3-chloro-4-[(2,4-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670576
[3-chloro-4-[(2,5-dimethylphenyl)sulfonylmethyl]phenyl]methanamine
CID 102670575
[3-chloro-4-[(3-methylcyclohexyl)sulfonylmethyl]phenyl]methanamine
CID 102670604
4-(butylsulfonylmethyl)-3-chlorobenzonitrile
CID 102670498
N'-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102991694
[4-(heptylsulfonylmethyl)phenyl]methanamine
CID 82182637
2-[(2,4-dichlorophenyl)methylsulfonyl]ethanol
CID 82181727
3-chloro-4-(3-methoxypropylsulfonylmethyl)aniline
CID 55260925
N-[[4-(aminomethyl)-2-chlorophenyl]methyl]-N-ethyl-4-methylaniline
CID 102662903

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine?
The IUPAC name of [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine (CID 102670591) is [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine.
What is the SMILES notation for [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine?
The canonical SMILES for [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine is CCCS(=O)(=O)Cc1ccc(CN)cc1Cl.
What is the InChIKey of [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine?
The InChIKey is DCNKIDCGHTZYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-2-5-16(14,15)8-10-4-3-9(7-13)6-11(10)12/h3-4,6H,2,5,7-8,13H2,1H3.
What are the key properties of [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine?
[3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine has a molecular weight of 261.77 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(propylsulfonylmethyl)phenyl]methanamine is sourced from PubChem (CID 102670591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).