N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide

C10H19NO2S — CID 107024574

IUPACN-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
SMILESCCN(CC1CCCO1)C(=O)CCS
InChIInChI=1S/C10H19NO2S/c1-2-11(10(12)5-7-14)8-9-4-3-6-13-9/h9,14H,2-8H2,1H3
InChIKeyMWXHRVWZEBPXDC-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.33
Rot. Bonds5

About N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide

N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide (PubChem CID 107024574) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
PubChem CID107024574
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
SMILESCCN(CC1CCCO1)C(=O)CCS
InChIInChI=1S/C10H19NO2S/c1-2-11(10(12)5-7-14)8-9-4-3-6-13-9/h9,14H,2-8H2,1H3
InChIKeyMWXHRVWZEBPXDC-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
5-[ethyl(oxolan-2-ylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933399
2-(1-aminocyclobutyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide
CID 79854728
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
N-ethyl-N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78931904

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide (CID 107024574) is N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide is CCN(CC1CCCO1)C(=O)CCS.
What is the InChIKey of N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide?
The InChIKey is MWXHRVWZEBPXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-2-11(10(12)5-7-14)8-9-4-3-6-13-9/h9,14H,2-8H2,1H3.
What are the key properties of N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide?
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide has a molecular weight of 217.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107024574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).