2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide

C11H24N2OS — CID 107755391

IUPAC2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
SMILESCCCCCSCCC(C)(NC)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-4-5-6-8-15-9-7-11(2,13-3)10(12)14/h13H,4-9H2,1-3H3,(H2,12,14)
InChIKeyXSZPFIBPNDQKKH-UHFFFAOYSA-N
MW232.39 g/mol
LogP1.76
Rot. Bonds9

About 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide

2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide (PubChem CID 107755391) has the molecular formula C11H24N2OS and a molecular weight of 232.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
PubChem CID107755391
Molecular FormulaC11H24N2OS
Molecular Weight232.39 g/mol
Exact Mass232.16
IUPAC Name2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide
SMILESCCCCCSCCC(C)(NC)C(N)=O
InChIInChI=1S/C11H24N2OS/c1-4-5-6-8-15-9-7-11(2,13-3)10(12)14/h13H,4-9H2,1-3H3,(H2,12,14)
InChIKeyXSZPFIBPNDQKKH-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.39
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(methylamino)heptanamide
CID 80557436
2-methyl-6-pentylsulfanyl-2-(propan-2-ylamino)hexanamide
CID 107755381
4-(4-hydroxybutan-2-ylsulfanyl)-2-methyl-2-(methylamino)butanamide
CID 66138872
2-methyl-2-(methylamino)pentadecanoic acid
CID 90221334
2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-cyclopropyl-2-(methylamino)-3-pentylsulfanylpropanamide
CID 107755622
3-octadecylsulfanylpropanamide
CID 21260142
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanamide
CID 64710154
ethyl 6-(3-methoxypropylsulfanyl)-2-methyl-2-(methylamino)hexanoate
CID 63857434
2-methyl-4-(2-methylbutylsulfanyl)-2-(propan-2-ylamino)butanamide
CID 107756126
(2R)-2-amino-2-(2-butylsulfanylethyl)-3,3-dimethylbutanoic acid
CID 91364833
4-pentylsulfanylbutanehydrazide
CID 107760917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide (CID 107755391) is 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide is CCCCCSCCC(C)(NC)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide?
The InChIKey is XSZPFIBPNDQKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2OS/c1-4-5-6-8-15-9-7-11(2,13-3)10(12)14/h13H,4-9H2,1-3H3,(H2,12,14).
What are the key properties of 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide?
2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide has a molecular weight of 232.39 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-pentylsulfanylbutanamide is sourced from PubChem (CID 107755391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).