N,N-diethyl-2-sulfanylpropanamide

C7H15NOS — CID 14302275

IUPACN,N-diethyl-2-sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)S
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)7(9)6(3)10/h6,10H,4-5H2,1-3H3
InChIKeyTUWNNKSGHCGQFU-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.17
Rot. Bonds3

About N,N-diethyl-2-sulfanylpropanamide

N,N-diethyl-2-sulfanylpropanamide (PubChem CID 14302275) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is N,N-diethyl-2-sulfanylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-2-sulfanylpropanamide
PubChem CID14302275
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameN,N-diethyl-2-sulfanylpropanamide
SMILESCCN(CC)C(=O)C(C)S
InChIInChI=1S/C7H15NOS/c1-4-8(5-2)7(9)6(3)10/h6,10H,4-5H2,1-3H3
InChIKeyTUWNNKSGHCGQFU-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-sulfanylpropanamide?
The IUPAC name of N,N-diethyl-2-sulfanylpropanamide (CID 14302275) is N,N-diethyl-2-sulfanylpropanamide.
What is the SMILES notation for N,N-diethyl-2-sulfanylpropanamide?
The canonical SMILES for N,N-diethyl-2-sulfanylpropanamide is CCN(CC)C(=O)C(C)S.
What is the InChIKey of N,N-diethyl-2-sulfanylpropanamide?
The InChIKey is TUWNNKSGHCGQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-8(5-2)7(9)6(3)10/h6,10H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-sulfanylpropanamide?
N,N-diethyl-2-sulfanylpropanamide has a molecular weight of 161.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-sulfanylpropanamide is sourced from PubChem (CID 14302275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).