2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide

C14H22N2OS — CID 114231407

IUPAC2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide
SMILESCc1cc(SCC(N)=O)ccc1CNC(C)(C)C
InChIInChI=1S/C14H22N2OS/c1-10-7-12(18-9-13(15)17)6-5-11(10)8-16-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyNYDIVHFOWYBNFE-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide

2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide (PubChem CID 114231407) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide
PubChem CID114231407
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide
SMILESCc1cc(SCC(N)=O)ccc1CNC(C)(C)C
InChIInChI=1S/C14H22N2OS/c1-10-7-12(18-9-13(15)17)6-5-11(10)8-16-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17)
InChIKeyNYDIVHFOWYBNFE-UHFFFAOYSA-N
XLogP2.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methyl-4-(propylaminomethyl)phenyl]sulfanylacetamide
CID 114231434
2-methyl-N-[[2-methyl-4-(2-methylsulfonylethylsulfanyl)phenyl]methyl]propan-2-amine
CID 63805699
N-[(2,4-dimethylphenyl)methyl]-2-methylpropan-2-amine
CID 16774947
methyl 2-[4-(ethylaminomethyl)-3-methylphenyl]sulfanylacetate
CID 63809966
2-methyl-N-[[2-methyl-4-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 106496534
3-[(2,4-dimethylphenyl)methylamino]-3-methylbutanamide
CID 106095989
2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine
CID 63814344
3-[(4-fluoro-2-methylphenyl)methylamino]-3-methylbutanamide
CID 104580146
ethyl 2-[4-[(tert-butylamino)methyl]phenyl]sulfanylacetate
CID 63808211
N-[(2,4-dimethylphenyl)methyl]-2-(4-methylphenyl)sulfanylacetamide
CID 46587644
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylacetate
CID 2486788
4-[(tert-butylamino)methyl]-3-fluorobenzamide
CID 28586612

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide?
The IUPAC name of 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide (CID 114231407) is 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide.
What is the SMILES notation for 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide?
The canonical SMILES for 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide is Cc1cc(SCC(N)=O)ccc1CNC(C)(C)C.
What is the InChIKey of 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide?
The InChIKey is NYDIVHFOWYBNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-7-12(18-9-13(15)17)6-5-11(10)8-16-14(2,3)4/h5-7,16H,8-9H2,1-4H3,(H2,15,17).
What are the key properties of 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide?
2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide has a molecular weight of 266.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(tert-butylamino)methyl]-3-methylphenyl]sulfanylacetamide is sourced from PubChem (CID 114231407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).