N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide

C10H21NO2S — CID 66128071

IUPACN,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
SMILESCCN(CC)C(=O)C(C)SCCCO
InChIInChI=1S/C10H21NO2S/c1-4-11(5-2)10(13)9(3)14-8-6-7-12/h9,12H,4-8H2,1-3H3
InChIKeyORMZIKCZGVJRPZ-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.36
Rot. Bonds7

About N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide

N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide (PubChem CID 66128071) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
PubChem CID66128071
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide
SMILESCCN(CC)C(=O)C(C)SCCCO
InChIInChI=1S/C10H21NO2S/c1-4-11(5-2)10(13)9(3)14-8-6-7-12/h9,12H,4-8H2,1-3H3
InChIKeyORMZIKCZGVJRPZ-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-butylsulfanylpropanoyl(ethyl)amino]acetic acid
CID 115730656
2-(2-aminopropylsulfanyl)-N,N-diethylpropanamide
CID 66219204
2-(3-hydroxypropylsulfanyl)propanehydrazide
CID 66128764
N-ethyl-N-(3-hydroxypropyl)-2-methylbutanamide
CID 115771825
2-benzylsulfanyl-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78887931
N,N-diethyl-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 78841431
2-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115772031
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
methyl 2-[1-[[1-(diethylamino)-1-oxopropan-2-yl]sulfanylmethyl]cyclopropyl]acetate
CID 107776024
N,N-diethyl-2-[2-hydroxyethyl(methyl)amino]propanamide
CID 62020446
(2S)-2-butylsulfanylpropanoyl chloride
CID 135809761
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide?
The IUPAC name of N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide (CID 66128071) is N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide.
What is the SMILES notation for N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide?
The canonical SMILES for N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide is CCN(CC)C(=O)C(C)SCCCO.
What is the InChIKey of N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide?
The InChIKey is ORMZIKCZGVJRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-4-11(5-2)10(13)9(3)14-8-6-7-12/h9,12H,4-8H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide?
N,N-diethyl-2-(3-hydroxypropylsulfanyl)propanamide has a molecular weight of 219.35 g/mol, XLogP of 1.36, 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-hydroxypropylsulfanyl)propanamide is sourced from PubChem (CID 66128071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).