N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane

C10H18N2O2S — CID 142116771

IUPACN-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
SMILESCC.CS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C8H12N2O2S.C2H6/c1-13(11,12)10-8-4-2-7(6-9)3-5-8;1-2/h2-5,10H,6,9H2,1H3;1-2H3
InChIKeyDSYSIDPONNLDDB-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.54
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane

N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane (PubChem CID 142116771) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
PubChem CID142116771
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-[4-(aminomethyl)phenyl]methanesulfonamide;ethane
SMILESCC.CS(=O)(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C8H12N2O2S.C2H6/c1-13(11,12)10-8-4-2-7(6-9)3-5-8;1-2/h2-5,10H,6,9H2,1H3;1-2H3
InChIKeyDSYSIDPONNLDDB-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
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N-[4-(methylaminomethyl)phenyl]methanesulfonamide
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4-(aminomethyl)-N-(4-methylphenyl)benzenesulfonamide
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N-[4-(aminomethyl)-2-iodophenyl]methanesulfonamide
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CID 159770469
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CID 63834583
N-[4-(3-hydroxypropyl)phenyl]methanesulfonamide
CID 67712691
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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane?
The IUPAC name of N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane (CID 142116771) is N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane?
The canonical SMILES for N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane is CC.CS(=O)(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane?
The InChIKey is DSYSIDPONNLDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S.C2H6/c1-13(11,12)10-8-4-2-7(6-9)3-5-8;1-2/h2-5,10H,6,9H2,1H3;1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane?
N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane has a molecular weight of 230.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]methanesulfonamide;ethane is sourced from PubChem (CID 142116771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).