N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide

C10H21NO3S — CID 123120146

IUPACN-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CS(=O)CCCO
InChIInChI=1S/C10H21NO3S/c1-3-4-6-11(2)10(13)9-15(14)8-5-7-12/h12H,3-9H2,1-2H3
InChIKeyDHWNQYZMTRNOHO-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.38
Rot. Bonds8

About N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide

N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide (PubChem CID 123120146) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
PubChem CID123120146
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC NameN-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide
SMILESCCCCN(C)C(=O)CS(=O)CCCO
InChIInChI=1S/C10H21NO3S/c1-3-4-6-11(2)10(13)9-15(14)8-5-7-12/h12H,3-9H2,1-2H3
InChIKeyDHWNQYZMTRNOHO-UHFFFAOYSA-N
XLogP0.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
CID 123102378
N-butyl-2-(2,3-dihydroxypropylsulfinyl)-N-methylacetamide
CID 123117550
3-pentylsulfinylpropan-1-ol
CID 12518269
4-hydroxy-N-methyl-N-pentylbutanamide
CID 79203931
N-(3-hydroxypropyl)-N-methyldecanamide
CID 59366231
N-(5-hydroxypentyl)-N-methyldodecanamide
CID 107201995
N-(5-hydroxypentyl)-N-methylbutanamide
CID 107201974
N-butyl-N-methyl-3-oxobutanamide
CID 60934379
1-butylsulfinylpropan-2-one
CID 64640941
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
CID 107767316
2-[2-hydroxyethyl(methyl)amino]-2-oxoethanesulfinate
CID 174647403
5-hydroxy-N-(3-hydroxypropyl)-N-methylpentanamide
CID 139993140

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide?
The IUPAC name of N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide (CID 123120146) is N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide is CCCCN(C)C(=O)CS(=O)CCCO.
What is the InChIKey of N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide?
The InChIKey is DHWNQYZMTRNOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-4-6-11(2)10(13)9-15(14)8-5-7-12/h12H,3-9H2,1-2H3.
What are the key properties of N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide?
N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide has a molecular weight of 235.35 g/mol, XLogP of 0.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-hydroxypropylsulfinyl)-N-methylacetamide is sourced from PubChem (CID 123120146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).