3-tert-butylsulfanyl-N-ethylpropanamide

C9H19NOS — CID 57262371

IUPAC3-tert-butylsulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-5-10-8(11)6-7-12-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyDSYIHXQYUJTAKC-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.04
Rot. Bonds4

About 3-tert-butylsulfanyl-N-ethylpropanamide

3-tert-butylsulfanyl-N-ethylpropanamide (PubChem CID 57262371) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 3-tert-butylsulfanyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-tert-butylsulfanyl-N-ethylpropanamide
PubChem CID57262371
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name3-tert-butylsulfanyl-N-ethylpropanamide
SMILESCCNC(=O)CCSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-5-10-8(11)6-7-12-9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyDSYIHXQYUJTAKC-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfanyl-N-ethylpropanamide?
The IUPAC name of 3-tert-butylsulfanyl-N-ethylpropanamide (CID 57262371) is 3-tert-butylsulfanyl-N-ethylpropanamide.
What is the SMILES notation for 3-tert-butylsulfanyl-N-ethylpropanamide?
The canonical SMILES for 3-tert-butylsulfanyl-N-ethylpropanamide is CCNC(=O)CCSC(C)(C)C.
What is the InChIKey of 3-tert-butylsulfanyl-N-ethylpropanamide?
The InChIKey is DSYIHXQYUJTAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-5-10-8(11)6-7-12-9(2,3)4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 3-tert-butylsulfanyl-N-ethylpropanamide?
3-tert-butylsulfanyl-N-ethylpropanamide has a molecular weight of 189.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfanyl-N-ethylpropanamide is sourced from PubChem (CID 57262371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).