2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide

C10H21NO2S — CID 103706063

IUPAC2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)SC(C)C(C)O
InChIInChI=1S/C10H21NO2S/c1-5-6-11-10(13)9(4)14-8(3)7(2)12/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyCEHZPGAYTSEBSQ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.40
Rot. Bonds6

About 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide

2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide (PubChem CID 103706063) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
PubChem CID103706063
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide
SMILESCCCNC(=O)C(C)SC(C)C(C)O
InChIInChI=1S/C10H21NO2S/c1-5-6-11-10(13)9(4)14-8(3)7(2)12/h7-9,12H,5-6H2,1-4H3,(H,11,13)
InChIKeyCEHZPGAYTSEBSQ-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-hydroxybutan-2-ylsulfanyl)-N-pentan-2-ylpropanamide
CID 103705836
2-methylsulfanyl-N-propylpropanamide
CID 131085433
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
3-[3-(propylamino)butan-2-ylsulfanyl]butan-2-ol
CID 107772410
methane;3-methylbutan-2-one;2-methyl-N-propylpropanamide
CID 159729828
2-iodo-N-propylpropanamide
CID 64787589
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
2-[1-(butylamino)-1-oxopropan-2-yl]sulfanylbutanoic acid
CID 105353072
2-amino-N-propylpropanamide;ethane
CID 142837247
2-formamido-N-propylpropanamide
CID 64990441
3,3-dicyano-2-methyl-N-propylpropanamide
CID 123543339
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]propanamide
CID 60659584

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide?
The IUPAC name of 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide (CID 103706063) is 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide.
What is the SMILES notation for 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide?
The canonical SMILES for 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide is CCCNC(=O)C(C)SC(C)C(C)O.
What is the InChIKey of 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide?
The InChIKey is CEHZPGAYTSEBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-6-11-10(13)9(4)14-8(3)7(2)12/h7-9,12H,5-6H2,1-4H3,(H,11,13).
What are the key properties of 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide?
2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide has a molecular weight of 219.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxybutan-2-ylsulfanyl)-N-propylpropanamide is sourced from PubChem (CID 103706063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).