N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide

C14H29NOS — CID 58263770

IUPACN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
SMILESCC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-11(17-10-14(5,6)7)8-12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyMGOJHBARCVFCCK-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.71
Rot. Bonds5

About N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide

N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide (PubChem CID 58263770) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
PubChem CID58263770
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide
SMILESCC(CC(=O)NCC(C)(C)C)SCC(C)(C)C
InChIInChI=1S/C14H29NOS/c1-11(17-10-14(5,6)7)8-12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyMGOJHBARCVFCCK-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
N-[2-(methylthio)ethyl]butanamide
CID 2245988
Acetic acid, thio-, S-2-(4-aminobutyramido)ethyl ester, hydrobromide
CID 57217
Propanamide, N-[2-(hexylthio)ethyl]-
CID 113635
3,3'-thiobis[N-(3-methylbutyl)propanamide]
CID 2932047
N-[2-(Acetylsulfanyl)ethyl]-4-aminobutanimidic acid--hydrogen bromide (1/1)
CID 49796293
3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
CID 71854930
N-[3-(2-methylpropylsulfanyl)propyl]cyclobutanecarboxamide
CID 75390121
[2-(Butylamino)-2-oxoethyl]-dimethylsulfanium bromide
CID 118713944
N-(2-tert-butylsulfanylethyl)-2,2-dimethylpropanamide
CID 2805079
S-(2-Acetamidoethyl) butanethioate
CID 20758541
3-ethylsulfanyl-3-methyl-N-(1-sulfanylethyl)butanamide
CID 129225951

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide (CID 58263770) is N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide is CC(CC(=O)NCC(C)(C)C)SCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
The InChIKey is MGOJHBARCVFCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-11(17-10-14(5,6)7)8-12(16)15-9-13(2,3)4/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide?
N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide has a molecular weight of 259.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-3-(2,2-dimethylpropylsulfanyl)butanamide is sourced from PubChem (CID 58263770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).