2-amino-N-(3-methylsulfanylbutyl)acetamide

C7H16N2OS — CID 115734039

IUPAC2-amino-N-(3-methylsulfanylbutyl)acetamide
SMILESCSC(C)CCNC(=O)CN
InChIInChI=1S/C7H16N2OS/c1-6(11-2)3-4-9-7(10)5-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyRXTSXNVDWAGFKD-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds5

About 2-amino-N-(3-methylsulfanylbutyl)acetamide

2-amino-N-(3-methylsulfanylbutyl)acetamide (PubChem CID 115734039) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfanylbutyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfanylbutyl)acetamide
PubChem CID115734039
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-amino-N-(3-methylsulfanylbutyl)acetamide
SMILESCSC(C)CCNC(=O)CN
InChIInChI=1S/C7H16N2OS/c1-6(11-2)3-4-9-7(10)5-8/h6H,3-5,8H2,1-2H3,(H,9,10)
InChIKeyRXTSXNVDWAGFKD-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(3-methylsulfanylbutyl)butanamide
CID 115738998
2-(1-aminocyclobutyl)-N-(3-methylsulfanylbutyl)acetamide
CID 115739037
5-bromo-N-(3-methylsulfanylbutyl)pentanamide
CID 107910619
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
CID 115739021
(2S)-2-amino-N-(3-methylsulfanylbutyl)pentanamide
CID 107570665
N'-tert-butyl-N-(3-methylsulfanylbutyl)pentanediamide
CID 134403497
(2S)-2-amino-4-methylsulfanyl-N-(3-methylsulfanylbutyl)butanamide
CID 103796215
2-amino-N-(3-cyclopentyl-3-ethoxypropyl)acetamide;hydrochloride
CID 119343510
3,3-dimethyl-2-(3-methylsulfanylbutylcarbamoyl)butanoic acid
CID 116537516
4-(aminomethyl)-N-(3-methylsulfanylbutyl)oxane-4-carboxamide
CID 113493999
(2R)-3-methyl-2-(3-methylsulfanylbutylcarbamoylamino)butanoic acid
CID 104867026
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfanylbutyl)acetamide?
The IUPAC name of 2-amino-N-(3-methylsulfanylbutyl)acetamide (CID 115734039) is 2-amino-N-(3-methylsulfanylbutyl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfanylbutyl)acetamide?
The canonical SMILES for 2-amino-N-(3-methylsulfanylbutyl)acetamide is CSC(C)CCNC(=O)CN.
What is the InChIKey of 2-amino-N-(3-methylsulfanylbutyl)acetamide?
The InChIKey is RXTSXNVDWAGFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-6(11-2)3-4-9-7(10)5-8/h6H,3-5,8H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-N-(3-methylsulfanylbutyl)acetamide?
2-amino-N-(3-methylsulfanylbutyl)acetamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylsulfanylbutyl)acetamide is sourced from PubChem (CID 115734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).