1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide

C14H22N2O2S2 — CID 106073760

IUPAC1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCCS1
InChIInChI=1S/C14H22N2O2S2/c1-14(7-2-8-19-14)11-16-20(17,18)10-13-5-3-12(9-15)4-6-13/h3-6,16H,2,7-11,15H2,1H3
InChIKeyWCXKHHOETXDLSC-UHFFFAOYSA-N
MW314.48 g/mol
LogP1.85
Rot. Bonds6

About 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide

1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide (PubChem CID 106073760) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
PubChem CID106073760
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide
SMILESCC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCCS1
InChIInChI=1S/C14H22N2O2S2/c1-14(7-2-8-19-14)11-16-20(17,18)10-13-5-3-12(9-15)4-6-13/h3-6,16H,2,7-11,15H2,1H3
InChIKeyWCXKHHOETXDLSC-UHFFFAOYSA-N
XLogP1.85
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80736770
2-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-3-sulfonamide
CID 106073737
5-(aminomethyl)-3-bromo-2-methyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073787
2-(2-aminophenoxy)-N-[(2-methylthiolan-2-yl)methyl]ethanesulfonamide
CID 80725543
4-hydroxy-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80742757
5-(2-aminoethyl)-N-[(2-methylthiolan-2-yl)methyl]thiophene-2-sulfonamide
CID 80743832
2-amino-6-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726242
3-(methylaminomethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 106073676
4-[(2-methylthiolan-2-yl)methylsulfamoyl]benzenecarbothioamide
CID 80736830
3-(1-aminopropyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743494
4-amino-2,6-dibromo-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80725860
3-amino-N-[(2-methylthiolan-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 115993750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide (CID 106073760) is 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide is CC1(CNS(=O)(=O)Cc2ccc(CN)cc2)CCCS1.
What is the InChIKey of 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide?
The InChIKey is WCXKHHOETXDLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-14(7-2-8-19-14)11-16-20(17,18)10-13-5-3-12(9-15)4-6-13/h3-6,16H,2,7-11,15H2,1H3.
What are the key properties of 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide?
1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide has a molecular weight of 314.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)phenyl]-N-[(2-methylthiolan-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 106073760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).