N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide

C13H20N2O2S — CID 81329339

IUPACN-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18(17)9-12(16)15-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBTBYOGGIVXXKIZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.63
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide

N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide (PubChem CID 81329339) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
PubChem CID81329339
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide
SMILESCC(C)(C)S(=O)CC(=O)Nc1ccc(CN)cc1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)18(17)9-12(16)15-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyBTBYOGGIVXXKIZ-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-tert-butylsulfinylpropanamide
CID 81329230
N-(3-aminophenyl)-2-tert-butylsulfinylacetamide
CID 61304416
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
2-amino-N-[4-(aminomethyl)phenyl]-2-methylpropanamide
CID 110480064
N-[4-(aminomethyl)phenyl]-2-(2-fluorophenyl)sulfinylacetamide
CID 81320395
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
N'-[4-(aminomethyl)phenyl]-N-(4-methylphenyl)butanediamide
CID 143641353
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
CID 63589054
N-[4-(aminomethyl)phenyl]-2-[methyl(propan-2-yl)amino]acetamide
CID 16790280
N-[4-(aminomethyl)phenyl]-3-(2-methylbutylsulfinyl)propanamide
CID 107767224
2-[(2-methylpropan-2-yl)oxy]ethyl N-[4-(aminomethyl)phenyl]carbamate
CID 112588469

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide (CID 81329339) is N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide is CC(C)(C)S(=O)CC(=O)Nc1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide?
The InChIKey is BTBYOGGIVXXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)18(17)9-12(16)15-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide?
N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-2-tert-butylsulfinylacetamide is sourced from PubChem (CID 81329339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).