2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide

C16H26N2O2S — CID 119327254

IUPAC2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(CS(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-5-7-14(17)15(19)18-13-9-6-8-12(10-13)11-21(20)16(2,3)4/h6,8-10,14H,5,7,11,17H2,1-4H3,(H,18,19)
InChIKeyUVODTAZFXXIIFO-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.80
Rot. Bonds6

About 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide

2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide (PubChem CID 119327254) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
PubChem CID119327254
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide
SMILESCCCC(N)C(=O)Nc1cccc(CS(=O)C(C)(C)C)c1
InChIInChI=1S/C16H26N2O2S/c1-5-7-14(17)15(19)18-13-9-6-8-12(10-13)11-21(20)16(2,3)4/h6,8-10,14H,5,7,11,17H2,1-4H3,(H,18,19)
InChIKeyUVODTAZFXXIIFO-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]propanamide
CID 119327234
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
2-amino-N-[3-(3,3,3-trifluoropropyl)phenyl]pentanamide
CID 119343981
2-amino-N-[3-(carbamoylamino)phenyl]pentanamide
CID 43710986
2-amino-N-(3-propan-2-ylphenyl)pentanamide
CID 43650216
N-[3-(tert-butylsulfinylmethyl)phenyl]-3-(carbamoylamino)benzamide
CID 119134253
2-(4-aminophenyl)-N-[3-(tert-butylsulfinylmethyl)phenyl]acetamide;hydrochloride
CID 119789984
2-[3-[[(2S)-2-aminohexanoyl]amino]phenyl]acetic acid
CID 107145776
1-[3-(tert-butylsulfinylmethyl)phenyl]-3-(1-hydroxy-2-methylbutan-2-yl)urea
CID 111754902
2-amino-N-[3-(2-phenylethoxymethyl)phenyl]pentanamide;hydrochloride
CID 119306590

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide (CID 119327254) is 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide is CCCC(N)C(=O)Nc1cccc(CS(=O)C(C)(C)C)c1.
What is the InChIKey of 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide?
The InChIKey is UVODTAZFXXIIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-5-7-14(17)15(19)18-13-9-6-8-12(10-13)11-21(20)16(2,3)4/h6,8-10,14H,5,7,11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide?
2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide has a molecular weight of 310.46 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(tert-butylsulfinylmethyl)phenyl]pentanamide is sourced from PubChem (CID 119327254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).