N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide

C10H19NOS — CID 126989201

IUPACN-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CSC1(C)C
InChIInChI=1S/C10H19NOS/c1-5-7(2)9(12)11-8-6-13-10(8,3)4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyFYXUQIGDIQFUQN-UHFFFAOYSA-N
MW201.33 g/mol
LogP2.04
Rot. Bonds3

About N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide

N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide (PubChem CID 126989201) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
PubChem CID126989201
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC NameN-(2,2-dimethylthietan-3-yl)-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CSC1(C)C
InChIInChI=1S/C10H19NOS/c1-5-7(2)9(12)11-8-6-13-10(8,3)4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyFYXUQIGDIQFUQN-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide?
The IUPAC name of N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide (CID 126989201) is N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide.
What is the SMILES notation for N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide?
The canonical SMILES for N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide is CCC(C)C(=O)NC1CSC1(C)C.
What is the InChIKey of N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide?
The InChIKey is FYXUQIGDIQFUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-5-7(2)9(12)11-8-6-13-10(8,3)4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide?
N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide has a molecular weight of 201.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylthietan-3-yl)-2-methylbutanamide is sourced from PubChem (CID 126989201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).