N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide

C9H19NO3S — CID 123102378

IUPACN,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)CCCO
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)9(12)8-14(13)7-5-6-11/h11H,3-8H2,1-2H3
InChIKeyPMMMVIYTSYVZFZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.01
Rot. Bonds7

About N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide

N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide (PubChem CID 123102378) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
PubChem CID123102378
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC NameN,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide
SMILESCCN(CC)C(=O)CS(=O)CCCO
InChIInChI=1S/C9H19NO3S/c1-3-10(4-2)9(12)8-14(13)7-5-6-11/h11H,3-8H2,1-2H3
InChIKeyPMMMVIYTSYVZFZ-UHFFFAOYSA-N
XLogP-0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide?
The IUPAC name of N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide (CID 123102378) is N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide.
What is the SMILES notation for N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide?
The canonical SMILES for N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide is CCN(CC)C(=O)CS(=O)CCCO.
What is the InChIKey of N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide?
The InChIKey is PMMMVIYTSYVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-3-10(4-2)9(12)8-14(13)7-5-6-11/h11H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide?
N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide has a molecular weight of 221.32 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-hydroxypropylsulfinyl)acetamide is sourced from PubChem (CID 123102378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).