4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide

C8H18N2O2S — CID 115739206

IUPAC4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
SMILESCC(CN)CC(=O)NCCS(C)=O
InChIInChI=1S/C8H18N2O2S/c1-7(6-9)5-8(11)10-3-4-13(2)12/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNOUKEFNLRRPGOZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP-0.53
Rot. Bonds6

About 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide

4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide (PubChem CID 115739206) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
PubChem CID115739206
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide
SMILESCC(CN)CC(=O)NCCS(C)=O
InChIInChI=1S/C8H18N2O2S/c1-7(6-9)5-8(11)10-3-4-13(2)12/h7H,3-6,9H2,1-2H3,(H,10,11)
InChIKeyNOUKEFNLRRPGOZ-UHFFFAOYSA-N
XLogP-0.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393
4-amino-N-[(2S)-2-hydroxypropyl]-3-methylbutanamide
CID 107221231
4-amino-N-[4-(dimethylamino)butyl]-3-methylbutanamide
CID 81086781
4-amino-3-methyl-N-(3-propan-2-yloxypropyl)butanamide
CID 81086754
4-amino-3-methyl-N-prop-2-ynylbutanamide
CID 81070639
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-3-methylbutanamide
CID 81079820
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
4-amino-N-(3-butoxypropyl)-3-methylbutanamide
CID 115737913
4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
4-amino-3-methyl-N-(2,2,3,3-tetramethylbutyl)butanamide
CID 115156508
3-[(4-amino-3-methylbutanoyl)amino]-2-hydroxypropanoic acid
CID 81080321

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide (CID 115739206) is 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide is CC(CN)CC(=O)NCCS(C)=O.
What is the InChIKey of 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide?
The InChIKey is NOUKEFNLRRPGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7(6-9)5-8(11)10-3-4-13(2)12/h7H,3-6,9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide?
4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide has a molecular weight of 206.31 g/mol, XLogP of -0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(2-methylsulfinylethyl)butanamide is sourced from PubChem (CID 115739206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).