3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide

C11H21NOS — CID 71854930

IUPAC3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC1CCCS1
InChIInChI=1S/C11H21NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyWBJOONKJWGYQMA-UHFFFAOYSA-N
MW215.36 g/mol
LogP2.43
Rot. Bonds3

About 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide

3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide (PubChem CID 71854930) has the molecular formula C11H21NOS and a molecular weight of 215.36 g/mol. Its IUPAC name is 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
PubChem CID71854930
Molecular FormulaC11H21NOS
Molecular Weight215.36 g/mol
Exact Mass215.13
IUPAC Name3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide
SMILESCC(C)(C)CC(=O)NCC1CCCS1
InChIInChI=1S/C11H21NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyWBJOONKJWGYQMA-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide (CID 71854930) is 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide is CC(C)(C)CC(=O)NCC1CCCS1.
What is the InChIKey of 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide?
The InChIKey is WBJOONKJWGYQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NOS/c1-11(2,3)7-10(13)12-8-9-5-4-6-14-9/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide?
3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide has a molecular weight of 215.36 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(thiolan-2-ylmethyl)butanamide is sourced from PubChem (CID 71854930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).