2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide

C12H25NO3S — CID 134590482

IUPAC2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide
SMILESCC(CC(C)(C)C)NC(=O)CSCC(O)CO
InChIInChI=1S/C12H25NO3S/c1-9(5-12(2,3)4)13-11(16)8-17-7-10(15)6-14/h9-10,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyGYLAKNVDTWRRQF-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.01
Rot. Bonds7

About 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide

2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide (PubChem CID 134590482) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide
PubChem CID134590482
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC Name2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide
SMILESCC(CC(C)(C)C)NC(=O)CSCC(O)CO
InChIInChI=1S/C12H25NO3S/c1-9(5-12(2,3)4)13-11(16)8-17-7-10(15)6-14/h9-10,14-15H,5-8H2,1-4H3,(H,13,16)
InChIKeyGYLAKNVDTWRRQF-UHFFFAOYSA-N
XLogP1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 79681883
(2S)-2-amino-3-[2-(5-methylhexan-2-ylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773379
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methoxypropyl)acetamide
CID 79683287
N-[3-[2-(4-acetamido-2-methylbutan-2-yl)oxyethoxy]-3-methylbutyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 123401479
2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
2-[2-(4-hydroxypentan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570315
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
N-(3,3-dimethylbutyl)-2-(2-methylpropylsulfanyl)acetamide
CID 155110055
2-[2-(5-hydroxypentan-2-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570148
N-(1-aminopropan-2-yl)-2-ethylsulfanylacetamide
CID 117126539

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide (CID 134590482) is 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide is CC(CC(C)(C)C)NC(=O)CSCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide?
The InChIKey is GYLAKNVDTWRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-9(5-12(2,3)4)13-11(16)8-17-7-10(15)6-14/h9-10,14-15H,5-8H2,1-4H3,(H,13,16).
What are the key properties of 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide?
2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide has a molecular weight of 263.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylsulfanyl)-N-(4,4-dimethylpentan-2-yl)acetamide is sourced from PubChem (CID 134590482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).