(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide

C12H25NOS — CID 138622913

IUPAC(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)SCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-9(2)7-13-11(14)10(3)15-8-12(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyYILNOBZFNSDYAE-JTQLQIEISA-N
MW231.40 g/mol
LogP2.93
Rot. Bonds5

About (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide

(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide (PubChem CID 138622913) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
PubChem CID138622913
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC Name(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)[C@H](C)SCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-9(2)7-13-11(14)10(3)15-8-12(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t10-/m0/s1
InChIKeyYILNOBZFNSDYAE-JTQLQIEISA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoro-N-(2-methylpropyl)propanamide
CID 148946234
2-(azetidin-3-ylmethylsulfanyl)-N-(2-methylpropyl)propanamide
CID 66289260
(2S)-2-amino-3-methyl-3-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 114189300
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
2-(4-aminobutan-2-ylsulfanyl)-N-(2-methylpropyl)propanamide
CID 66230922
2,3-dibromo-N-(2-methylpropyl)propanamide
CID 21396704
2-bromo-N-(2-methylpropyl)hexanamide
CID 110839076
ethane;3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 164555835
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanyl)-2-(methylamino)acetamide
CID 126549375
1,4-dimethylpiperazine;2-methyl-N-(2-methylpropyl)propanamide
CID 163271677
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide (CID 138622913) is (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)[C@H](C)SCC(C)(C)C.
What is the InChIKey of (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide?
The InChIKey is YILNOBZFNSDYAE-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25NOS/c1-9(2)7-13-11(14)10(3)15-8-12(4,5)6/h9-10H,7-8H2,1-6H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide?
(2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide has a molecular weight of 231.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropylsulfanyl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 138622913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).