3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

C10H20N2O3S — CID 115771223

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-2-12(5-3-6-13)10(15)4-7-16-8-9(11)14/h13H,2-8H2,1H3,(H2,11,14)
InChIKeyMHUTZCLAKQQHHP-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.17
Rot. Bonds9

About 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (PubChem CID 115771223) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
PubChem CID115771223
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
SMILESCCN(CCCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-2-12(5-3-6-13)10(15)4-7-16-8-9(11)14/h13H,2-8H2,1H3,(H2,11,14)
InChIKeyMHUTZCLAKQQHHP-UHFFFAOYSA-N
XLogP-0.17
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-2-oxoethyl)sulfanyl-N,N-diethylpropanamide
CID 60734352
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 114263756
3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 23451991
N-ethyl-N-(3-hydroxypropyl)decanamide
CID 115771581
N-ethyl-N-(3-hydroxypropyl)heptanamide
CID 115771582
3-(4-chlorophenyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771889
N-(2-amino-2-oxoethyl)-N-ethyl-4-hydroxybutanamide
CID 103104212
N,N-dibutyl-3-[3-(dibutylamino)-3-oxopropyl]sulfanylpropanamide
CID 559874
3-amino-N-ethyl-3-hydroxyimino-N-(3-hydroxypropyl)propanamide
CID 104861865
3-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 113339384
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
N-ethyl-N-(2-hydroxyethyl)-3-[(1-methyltetrazol-5-yl)methylsulfanyl]propanamide
CID 21295617

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide (CID 115771223) is 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is CCN(CCCO)C(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is MHUTZCLAKQQHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-2-12(5-3-6-13)10(15)4-7-16-8-9(11)14/h13H,2-8H2,1H3,(H2,11,14).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 248.35 g/mol, XLogP of -0.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-ethyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 115771223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).