[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone

C10H17NOS — CID 130676353

IUPAC[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
SMILESCC1(C)C[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C10H17NOS/c1-10(2)7-8(10)9(12)11-3-5-13-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyNVYIEGUYLXVZCW-MRVPVSSYSA-N
MW199.32 g/mol
LogP1.61
Rot. Bonds1

About [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone

[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone (PubChem CID 130676353) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
PubChem CID130676353
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone
SMILESCC1(C)C[C@@H]1C(=O)N1CCSCC1
InChIInChI=1S/C10H17NOS/c1-10(2)7-8(10)9(12)11-3-5-13-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyNVYIEGUYLXVZCW-MRVPVSSYSA-N
XLogP1.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone (CID 130676353) is [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone is CC1(C)C[C@@H]1C(=O)N1CCSCC1.
What is the InChIKey of [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone?
The InChIKey is NVYIEGUYLXVZCW-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-10(2)7-8(10)9(12)11-3-5-13-6-4-11/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone?
[(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone has a molecular weight of 199.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclopropyl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 130676353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).