N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide

C9H17NOS — CID 130556653

IUPACN-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCC1(C)C
InChIInChI=1S/C9H17NOS/c1-6(12)8(11)10-7-4-5-9(7,2)3/h6-7,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyUVVCMLXUDCXABF-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.61
Rot. Bonds2

About N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide

N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide (PubChem CID 130556653) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
PubChem CID130556653
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC NameN-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NC1CCC1(C)C
InChIInChI=1S/C9H17NOS/c1-6(12)8(11)10-7-4-5-9(7,2)3/h6-7,12H,4-5H2,1-3H3,(H,10,11)
InChIKeyUVVCMLXUDCXABF-UHFFFAOYSA-N
XLogP1.61
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
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-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide?
The IUPAC name of N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide (CID 130556653) is N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide is CC(S)C(=O)NC1CCC1(C)C.
What is the InChIKey of N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide?
The InChIKey is UVVCMLXUDCXABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-6(12)8(11)10-7-4-5-9(7,2)3/h6-7,12H,4-5H2,1-3H3,(H,10,11).
What are the key properties of N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide?
N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide has a molecular weight of 187.31 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclobutyl)-2-sulfanylpropanamide is sourced from PubChem (CID 130556653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).