2-amino-N-(3-methylsulfinylbutyl)butanamide

C9H20N2O2S — CID 115734815

IUPAC2-amino-N-(3-methylsulfinylbutyl)butanamide
SMILESCCC(N)C(=O)NCCC(C)S(C)=O
InChIInChI=1S/C9H20N2O2S/c1-4-8(10)9(12)11-6-5-7(2)14(3)13/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyUIPIWOYZTMQZMR-UHFFFAOYSA-N
MW220.34 g/mol
LogP-0.00
Rot. Bonds6

About 2-amino-N-(3-methylsulfinylbutyl)butanamide

2-amino-N-(3-methylsulfinylbutyl)butanamide (PubChem CID 115734815) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 2-amino-N-(3-methylsulfinylbutyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylsulfinylbutyl)butanamide
PubChem CID115734815
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-(3-methylsulfinylbutyl)butanamide
SMILESCCC(N)C(=O)NCCC(C)S(C)=O
InChIInChI=1S/C9H20N2O2S/c1-4-8(10)9(12)11-6-5-7(2)14(3)13/h7-8H,4-6,10H2,1-3H3,(H,11,12)
InChIKeyUIPIWOYZTMQZMR-UHFFFAOYSA-N
XLogP-0.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-methylsulfinylbutyl)propanamide
CID 103798205
2-amino-N-(3-methylsulfinylbutyl)butanediamide
CID 115751165
4-(2-aminobutanoylamino)-2-methylbutanoic acid
CID 80539879
2-carbamothioyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490493
(2R)-2-amino-N-(3-methylsulfinylbutyl)-2-phenylacetamide
CID 103798204
1,1-dimethyl-3-(3-methylsulfinylbutyl)urea
CID 115729496
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
3-amino-4,4-dimethyl-N-(3-methylsulfinylbutyl)pentanamide
CID 113490479
1-(3-methylsulfinylbutyl)-3-propylthiourea
CID 116510232
(2S)-3-methyl-2-(3-methylsulfinylbutylcarbamoylamino)pentanoic acid
CID 104866572
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2R)-2-(3-methylsulfinylbutylcarbamoylamino)propanoic acid
CID 104866570

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylsulfinylbutyl)butanamide?
The IUPAC name of 2-amino-N-(3-methylsulfinylbutyl)butanamide (CID 115734815) is 2-amino-N-(3-methylsulfinylbutyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-methylsulfinylbutyl)butanamide?
The canonical SMILES for 2-amino-N-(3-methylsulfinylbutyl)butanamide is CCC(N)C(=O)NCCC(C)S(C)=O.
What is the InChIKey of 2-amino-N-(3-methylsulfinylbutyl)butanamide?
The InChIKey is UIPIWOYZTMQZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-4-8(10)9(12)11-6-5-7(2)14(3)13/h7-8H,4-6,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-N-(3-methylsulfinylbutyl)butanamide?
2-amino-N-(3-methylsulfinylbutyl)butanamide has a molecular weight of 220.34 g/mol, XLogP of -0.00, 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-methylsulfinylbutyl)butanamide is sourced from PubChem (CID 115734815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).