N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide

C14H20N2O4S — CID 106497396

IUPACN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
SMILESNCc1ccccc1NC(=O)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c15-8-11-4-1-2-6-13(11)16-14(17)10-21(18,19)9-12-5-3-7-20-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17)
InChIKeySQZWGPDXBMITPA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.68
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide

N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide (PubChem CID 106497396) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
PubChem CID106497396
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide
SMILESNCc1ccccc1NC(=O)CS(=O)(=O)CC1CCCO1
InChIInChI=1S/C14H20N2O4S/c15-8-11-4-1-2-6-13(11)16-14(17)10-21(18,19)9-12-5-3-7-20-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17)
InChIKeySQZWGPDXBMITPA-UHFFFAOYSA-N
XLogP0.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(oxolan-2-ylmethylsulfonyl)acetamide
CID 106494941
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 18069772
N-[2-(aminomethyl)phenyl]-2-cyclohexylsulfonylacetamide
CID 64696815
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
N-[2-(ethylaminomethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 65160577
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-[2-(chloromethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 114298345
1-(2-bromophenyl)-2-(oxolan-2-ylmethylsulfonyl)ethanone
CID 106497076
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
N-(2-chlorophenyl)-3-[(2R)-oxolan-2-yl]propanamide
CID 39087895
N-[2-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide (CID 106497396) is N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide is NCc1ccccc1NC(=O)CS(=O)(=O)CC1CCCO1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide?
The InChIKey is SQZWGPDXBMITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c15-8-11-4-1-2-6-13(11)16-14(17)10-21(18,19)9-12-5-3-7-20-12/h1-2,4,6,12H,3,5,7-10,15H2,(H,16,17).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide?
N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide has a molecular weight of 312.39 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(oxolan-2-ylmethylsulfonyl)acetamide is sourced from PubChem (CID 106497396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).