N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide

C10H21NO4S — CID 123117550

IUPACN-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CS(=O)CC(O)CO
InChIInChI=1S/C10H21NO4S/c1-3-4-5-11(2)10(14)8-16(15)7-9(13)6-12/h9,12-13H,3-8H2,1-2H3
InChIKeyQNGGJUZRFBLFDC-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.65
Rot. Bonds8

About N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide

N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide (PubChem CID 123117550) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
PubChem CID123117550
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC NameN-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CS(=O)CC(O)CO
InChIInChI=1S/C10H21NO4S/c1-3-4-5-11(2)10(14)8-16(15)7-9(13)6-12/h9,12-13H,3-8H2,1-2H3
InChIKeyQNGGJUZRFBLFDC-UHFFFAOYSA-N
XLogP-0.65
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
CID 123120146
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
CID 107767316
3-dodecylsulfinylpropane-1,2-diol
CID 154087122
2-ethoxyethyl 2-(2,3-dihydroxypropylsulfinyl)acetate
CID 123117567
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
2-[2-hydroxyethyl(methyl)amino]-2-oxoethanesulfinate
CID 174647403
2,3-dihydroxypropyl 3-[dodecanoyl(methyl)amino]propanoate
CID 54196012
N-(3-aminopropyl)-2-butan-2-ylsulfinyl-N-methylacetamide
CID 81328932
N-butyl-N,2-dimethylpropanamide
CID 21413636
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-butyl-N-methylcarbamate
CID 23071400

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide (CID 123117550) is N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide is CCCCN(C)C(=O)CS(=O)CC(O)CO.
What is the InChIKey of N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide?
The InChIKey is QNGGJUZRFBLFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-3-4-5-11(2)10(14)8-16(15)7-9(13)6-12/h9,12-13H,3-8H2,1-2H3.
What are the key properties of N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide?
N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide has a molecular weight of 251.35 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide is sourced from PubChem (CID 123117550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).