N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide

C12H25NOS — CID 155110055

IUPACN-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-10(2)8-15-9-11(14)13-7-6-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyQWHHXZMDSSGWMV-UHFFFAOYSA-N
MW231.40 g/mol
LogP2.93
Rot. Bonds6

About N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide

N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide (PubChem CID 155110055) has the molecular formula C12H25NOS and a molecular weight of 231.40 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
PubChem CID155110055
Molecular FormulaC12H25NOS
Molecular Weight231.40 g/mol
Exact Mass231.17
IUPAC NameN-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
SMILESCC(C)CSCC(=O)NCCC(C)(C)C
InChIInChI=1S/C12H25NOS/c1-10(2)8-15-9-11(14)13-7-6-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyQWHHXZMDSSGWMV-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(2-methylpropylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731527
N-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-(2-methylpropylsulfanyl)acetamide
CID 156547182
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
CID 168915407
N-(3,3-dimethylbutyl)-2-hydroxyacetamide
CID 115140033
(2S)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773461
(2R)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141834
N-(3,3-dimethylbutyl)butanamide
CID 115580246
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
N-[3-[2-(4-acetamido-2-methylbutan-2-yl)oxyethoxy]-3-methylbutyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 123401479
(2S)-5-[[(1R)-1-carboxy-2-(2-methylpropylsulfanyl)ethyl]amino]-2-[[3-[4-(4,4-dimethylpentanoylamino)-2-methylbutan-2-yl]oxy-2,2-dimethylpropanoyl]amino]-5-oxopentanoic acid
CID 146263958
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide?
The IUPAC name of N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide (CID 155110055) is N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide is CC(C)CSCC(=O)NCCC(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide?
The InChIKey is QWHHXZMDSSGWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NOS/c1-10(2)8-15-9-11(14)13-7-6-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide?
N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide has a molecular weight of 231.40 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide is sourced from PubChem (CID 155110055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).