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

C8H16N2O3S — CID 43417552

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide
SMILESNC(=O)CSCCC(=O)NCCCO
InChIInChI=1S/C8H16N2O3S/c9-7(12)6-14-5-2-8(13)10-3-1-4-11/h11H,1-6H2,(H2,9,12)(H,10,13)
InChIKeyREARRNBWTCYXGR-UHFFFAOYSA-N
MW220.29 g/mol
LogP-0.91
Rot. Bonds8

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

3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide (PubChem CID 43417552) has the molecular formula C8H16N2O3S and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide
PubChem CID43417552
Molecular FormulaC8H16N2O3S
Molecular Weight220.29 g/mol
Exact Mass220.09
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide
SMILESNC(=O)CSCCC(=O)NCCCO
InChIInChI=1S/C8H16N2O3S/c9-7(12)6-14-5-2-8(13)10-3-1-4-11/h11H,1-6H2,(H2,9,12)(H,10,13)
InChIKeyREARRNBWTCYXGR-UHFFFAOYSA-N
XLogP-0.91
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103767819
4,4,4-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]butanamide
CID 103800594
3,3,3-trifluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103800783
2,2,3,3-tetrafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103801078
2-butylsulfanyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104857117
3-(2-amino-2-oxoethyl)sulfanyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104857222
2-fluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-methylpropanamide
CID 109928360
2,2,3,3,3-pentafluoro-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 114171212
2-amino-N-(3-hydroxypropyl)-3-(methylsulfanyl)propanamide
CID 154577110
N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 15123541
3-amino-N-[2-(2-hydroxyethylsulfanyl)ethyl]propanamide;hydrochloride
CID 20261867

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide (CID 43417552) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide is NC(=O)CSCCC(=O)NCCCO.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
The InChIKey is REARRNBWTCYXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3S/c9-7(12)6-14-5-2-8(13)10-3-1-4-11/h11H,1-6H2,(H2,9,12)(H,10,13).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide has a molecular weight of 220.29 g/mol, XLogP of -0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(3-hydroxypropyl)propanamide is sourced from PubChem (CID 43417552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).