4-tert-butylsulfanyl-N-methylbutanamide

C9H19NOS — CID 59176785

IUPAC4-tert-butylsulfanyl-N-methylbutanamide
SMILESCNC(=O)CCCSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-9(2,3)12-7-5-6-8(11)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyGUFOJHRNJXJWNF-UHFFFAOYSA-N
MW189.32 g/mol
LogP2.04
Rot. Bonds4

About 4-tert-butylsulfanyl-N-methylbutanamide

4-tert-butylsulfanyl-N-methylbutanamide (PubChem CID 59176785) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-tert-butylsulfanyl-N-methylbutanamide.

Molecular Properties

Compound Name4-tert-butylsulfanyl-N-methylbutanamide
PubChem CID59176785
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-tert-butylsulfanyl-N-methylbutanamide
SMILESCNC(=O)CCCSC(C)(C)C
InChIInChI=1S/C9H19NOS/c1-9(2,3)12-7-5-6-8(11)10-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyGUFOJHRNJXJWNF-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfanyl-N-methylbutanamide?
The IUPAC name of 4-tert-butylsulfanyl-N-methylbutanamide (CID 59176785) is 4-tert-butylsulfanyl-N-methylbutanamide.
What is the SMILES notation for 4-tert-butylsulfanyl-N-methylbutanamide?
The canonical SMILES for 4-tert-butylsulfanyl-N-methylbutanamide is CNC(=O)CCCSC(C)(C)C.
What is the InChIKey of 4-tert-butylsulfanyl-N-methylbutanamide?
The InChIKey is GUFOJHRNJXJWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,3)12-7-5-6-8(11)10-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of 4-tert-butylsulfanyl-N-methylbutanamide?
4-tert-butylsulfanyl-N-methylbutanamide 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 4-tert-butylsulfanyl-N-methylbutanamide is sourced from PubChem (CID 59176785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).