N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide

C7H15NO3S — CID 51340877

IUPACN-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOCCO
InChIInChI=1S/C7H15NO3S/c9-3-5-11-4-2-8-7(10)1-6-12/h9,12H,1-6H2,(H,8,10)
InChIKeyPBDUPWIOEPFBHO-UHFFFAOYSA-N
MW193.27 g/mol
LogP-0.57
Rot. Bonds7

About N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide

N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide (PubChem CID 51340877) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide
PubChem CID51340877
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide
SMILESO=C(CCS)NCCOCCO
InChIInChI=1S/C7H15NO3S/c9-3-5-11-4-2-8-7(10)1-6-12/h9,12H,1-6H2,(H,8,10)
InChIKeyPBDUPWIOEPFBHO-UHFFFAOYSA-N
XLogP-0.57
TPSA58.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-Hydroxyethyl)-3-mercaptopropanamide
CID 19695612
N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 53665179
mPEG-Thiol
CID 107027119
N-[2-(2-hydroxyethoxy)ethyl]-4-sulfanylbutanamide
CID 17882728
N-(2-hydroxyethyl)-4-sulfanylbutanamide
CID 17882730
N-[2-(2-hydroxyethoxy)ethyl]-2-sulfanylpropanamide
CID 19080672
S-[1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 22377131
S-[(2S)-1-[2-(2-hydroxyethoxy)ethylamino]-1-oxopropan-2-yl] ethanethioate
CID 57192967
N-[2-(2-hydroxyethoxy)ethyl]-2-methylsulfanylacetamide
CID 58788598
N-(2,3-dihydroxypropyl)-3-sulfanylpropanamide
CID 59867058
N-[2-(2-propoxyethoxy)ethyl]-3-sulfanylpropanamide
CID 59867060
N-[2-(2-Hydroxyethoxy)ethyl]-2-mercaptoacetamide
CID 65627218

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide (CID 51340877) is N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide is O=C(CCS)NCCOCCO.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide?
The InChIKey is PBDUPWIOEPFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c9-3-5-11-4-2-8-7(10)1-6-12/h9,12H,1-6H2,(H,8,10).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide?
N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide has a molecular weight of 193.27 g/mol, XLogP of -0.57, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-3-sulfanylpropanamide is sourced from PubChem (CID 51340877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).