4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide

C9H20N2OS2 — CID 145408421

IUPAC4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
SMILESCSSC(C)(C)CNC(=O)CCCN
InChIInChI=1S/C9H20N2OS2/c1-9(2,14-13-3)7-11-8(12)5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyHAKPGXPICXBKHU-UHFFFAOYSA-N
MW236.41 g/mol
LogP1.63
Rot. Bonds7

About 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide

4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide (PubChem CID 145408421) has the molecular formula C9H20N2OS2 and a molecular weight of 236.41 g/mol. Its IUPAC name is 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
PubChem CID145408421
Molecular FormulaC9H20N2OS2
Molecular Weight236.41 g/mol
Exact Mass236.10
IUPAC Name4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
SMILESCSSC(C)(C)CNC(=O)CCCN
InChIInChI=1S/C9H20N2OS2/c1-9(2,14-13-3)7-11-8(12)5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKeyHAKPGXPICXBKHU-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
CID 119326927
4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
4-(methylamino)-N-(2-methyl-2-methylsulfanylpropyl)butanamide
CID 115739817
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040
2-amino-N-(2-methyl-2-methylsulfanylpropyl)acetamide
CID 115734389
3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822
7-amino-N-(2-methyl-2-methylsulfonylpropyl)heptanamide
CID 79550577
5-amino-N-(4-hydroxy-2,2-dimethylbutyl)pentanamide
CID 106147943
6-amino-N-[2-(dimethylamino)-2-methylpropyl]hexanamide
CID 61249637

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide?
The IUPAC name of 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide (CID 145408421) is 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide.
What is the SMILES notation for 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide?
The canonical SMILES for 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide is CSSC(C)(C)CNC(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide?
The InChIKey is HAKPGXPICXBKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2OS2/c1-9(2,14-13-3)7-11-8(12)5-4-6-10/h4-7,10H2,1-3H3,(H,11,12).
What are the key properties of 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide?
4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide has a molecular weight of 236.41 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide is sourced from PubChem (CID 145408421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).