N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide

C12H18N2O3S — CID 62047509

IUPACN-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
SMILESNCc1ccccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H18N2O3S/c13-9-10-3-1-2-4-12(10)14-18(15,16)11-5-7-17-8-6-11/h1-4,11,14H,5-9,13H2
InChIKeyCYIHBWZSMQVQQY-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.07
Rot. Bonds4

About N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide

N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide (PubChem CID 62047509) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
PubChem CID62047509
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
SMILESNCc1ccccc1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C12H18N2O3S/c13-9-10-3-1-2-4-12(10)14-18(15,16)11-5-7-17-8-6-11/h1-4,11,14H,5-9,13H2
InChIKeyCYIHBWZSMQVQQY-UHFFFAOYSA-N
XLogP1.07
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
N-[2-(aminomethyl)-4-fluorophenyl]cyclopropanesulfonamide
CID 82014016
N-[[2-(aminomethyl)phenyl]methyl]-N-methyloxane-4-sulfonamide
CID 62047698
2-methyl-6-(oxan-4-ylsulfonylamino)benzenecarbothioamide
CID 107799054
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
N-[[2-(3-hydroxyprop-1-ynyl)phenyl]methyl]oxane-4-sulfonamide
CID 62048459
N-[2-(aminomethyl)phenyl]-2-(oxan-4-yloxy)propanamide
CID 61287366
N-[(3-amino-2-methylphenyl)methyl]oxane-4-sulfonamide
CID 103110626
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide (CID 62047509) is N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide is NCc1ccccc1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide?
The InChIKey is CYIHBWZSMQVQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c13-9-10-3-1-2-4-12(10)14-18(15,16)11-5-7-17-8-6-11/h1-4,11,14H,5-9,13H2.
What are the key properties of N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide?
N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide has a molecular weight of 270.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).