N-ethyl-N-propyl-3-sulfanylpropanamide

C8H17NOS — CID 107022413

IUPACN-ethyl-N-propyl-3-sulfanylpropanamide
SMILESCCCN(CC)C(=O)CCS
InChIInChI=1S/C8H17NOS/c1-3-6-9(4-2)8(10)5-7-11/h11H,3-7H2,1-2H3
InChIKeyFVGRVVUOCQOGDH-UHFFFAOYSA-N
MW175.30 g/mol
LogP1.56
Rot. Bonds5

About N-ethyl-N-propyl-3-sulfanylpropanamide

N-ethyl-N-propyl-3-sulfanylpropanamide (PubChem CID 107022413) has the molecular formula C8H17NOS and a molecular weight of 175.30 g/mol. Its IUPAC name is N-ethyl-N-propyl-3-sulfanylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-propyl-3-sulfanylpropanamide
PubChem CID107022413
Molecular FormulaC8H17NOS
Molecular Weight175.30 g/mol
Exact Mass175.10
IUPAC NameN-ethyl-N-propyl-3-sulfanylpropanamide
SMILESCCCN(CC)C(=O)CCS
InChIInChI=1S/C8H17NOS/c1-3-6-9(4-2)8(10)5-7-11/h11H,3-7H2,1-2H3
InChIKeyFVGRVVUOCQOGDH-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-sulfanyl-N,N-di(tetradecyl)propanamide
CID 10791452
3-sulfanyl-N,N-bis(2-sulfanylethyl)propanamide
CID 118066186
N-butyl-N-ethylpentanamide
CID 4629847
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
N-ethyl-N-octylbutanamide
CID 138793187
3-(ethylamino)-N,N-dipropylpropanamide
CID 62833888
N-[2-(dimethylamino)ethyl]-5-hydroxy-N-propylpentanamide
CID 79209171
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
N,N-dipropylnonadecanamide
CID 12960009
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157
5-bromo-N-[2-(dimethylamino)ethyl]-N-propylpentanamide
CID 107909937
4-[ethyl(propyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65297807

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propyl-3-sulfanylpropanamide?
The IUPAC name of N-ethyl-N-propyl-3-sulfanylpropanamide (CID 107022413) is N-ethyl-N-propyl-3-sulfanylpropanamide.
What is the SMILES notation for N-ethyl-N-propyl-3-sulfanylpropanamide?
The canonical SMILES for N-ethyl-N-propyl-3-sulfanylpropanamide is CCCN(CC)C(=O)CCS.
What is the InChIKey of N-ethyl-N-propyl-3-sulfanylpropanamide?
The InChIKey is FVGRVVUOCQOGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS/c1-3-6-9(4-2)8(10)5-7-11/h11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-N-propyl-3-sulfanylpropanamide?
N-ethyl-N-propyl-3-sulfanylpropanamide has a molecular weight of 175.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propyl-3-sulfanylpropanamide is sourced from PubChem (CID 107022413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).