2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide

C7H16N2OS — CID 115734389

IUPAC2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)CN
InChIInChI=1S/C7H16N2OS/c1-7(2,11-3)5-9-6(10)4-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyMWFJJCKDOUGNES-UHFFFAOYSA-N
MW176.28 g/mol
LogP0.20
Rot. Bonds4

About 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide

2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide (PubChem CID 115734389) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
PubChem CID115734389
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
SMILESCSC(C)(C)CNC(=O)CN
InChIInChI=1S/C7H16N2OS/c1-7(2,11-3)5-9-6(10)4-8/h4-5,8H2,1-3H3,(H,9,10)
InChIKeyMWFJJCKDOUGNES-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

2-(4-aminophenyl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 113266939
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
1-tert-butyl-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 115695158
2-(azetidin-3-yl)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115739816
3-amino-2-methoxy-N-(2-methyl-2-methylsulfanylpropyl)propanamide
CID 106113782
(2R)-2-amino-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 104864440
4-(aminomethyl)-N-(2-methyl-2-methylsulfanylpropyl)benzamide
CID 115734394
2-amino-N-[2-methyl-2-(4-methylsulfanylphenyl)propyl]acetamide
CID 115151844
4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
CID 145408421
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
2-(4-cyanophenoxy)-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115665013
2-[[(2-aminoacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115430301

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide (CID 115734389) is 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide is CSC(C)(C)CNC(=O)CN.
What is the InChIKey of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
The InChIKey is MWFJJCKDOUGNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-7(2,11-3)5-9-6(10)4-8/h4-5,8H2,1-3H3,(H,9,10).
What are the key properties of 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide?
2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide has a molecular weight of 176.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 115734389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).