1-(dimethylamino)-1-(thian-4-yl)propan-2-one

C10H19NOS — CID 58143499

IUPAC1-(dimethylamino)-1-(thian-4-yl)propan-2-one
SMILESCC(=O)C(C1CCSCC1)N(C)C
InChIInChI=1S/C10H19NOS/c1-8(12)10(11(2)3)9-4-6-13-7-5-9/h9-10H,4-7H2,1-3H3
InChIKeyDXPNYYXSRWKVEM-UHFFFAOYSA-N
MW201.33 g/mol
LogP1.65
Rot. Bonds3

About 1-(dimethylamino)-1-(thian-4-yl)propan-2-one

1-(dimethylamino)-1-(thian-4-yl)propan-2-one (PubChem CID 58143499) has the molecular formula C10H19NOS and a molecular weight of 201.33 g/mol. Its IUPAC name is 1-(dimethylamino)-1-(thian-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(dimethylamino)-1-(thian-4-yl)propan-2-one
PubChem CID58143499
Molecular FormulaC10H19NOS
Molecular Weight201.33 g/mol
Exact Mass201.12
IUPAC Name1-(dimethylamino)-1-(thian-4-yl)propan-2-one
SMILESCC(=O)C(C1CCSCC1)N(C)C
InChIInChI=1S/C10H19NOS/c1-8(12)10(11(2)3)9-4-6-13-7-5-9/h9-10H,4-7H2,1-3H3
InChIKeyDXPNYYXSRWKVEM-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-(thian-4-yl)propan-2-one?
The IUPAC name of 1-(dimethylamino)-1-(thian-4-yl)propan-2-one (CID 58143499) is 1-(dimethylamino)-1-(thian-4-yl)propan-2-one.
What is the SMILES notation for 1-(dimethylamino)-1-(thian-4-yl)propan-2-one?
The canonical SMILES for 1-(dimethylamino)-1-(thian-4-yl)propan-2-one is CC(=O)C(C1CCSCC1)N(C)C.
What is the InChIKey of 1-(dimethylamino)-1-(thian-4-yl)propan-2-one?
The InChIKey is DXPNYYXSRWKVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NOS/c1-8(12)10(11(2)3)9-4-6-13-7-5-9/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-(thian-4-yl)propan-2-one?
1-(dimethylamino)-1-(thian-4-yl)propan-2-one has a molecular weight of 201.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-(thian-4-yl)propan-2-one is sourced from PubChem (CID 58143499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).