2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide

C12H24N2O2S — CID 111484770

IUPAC2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1(O)CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-3-14(4-2)9-11(15)13-10-12(16)5-7-17-8-6-12/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyLEBVUXLKMDJWDX-UHFFFAOYSA-N
MW260.40 g/mol
LogP0.70
Rot. Bonds6

About 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide

2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide (PubChem CID 111484770) has the molecular formula C12H24N2O2S and a molecular weight of 260.40 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide
PubChem CID111484770
Molecular FormulaC12H24N2O2S
Molecular Weight260.40 g/mol
Exact Mass260.16
IUPAC Name2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1(O)CCSCC1
InChIInChI=1S/C12H24N2O2S/c1-3-14(4-2)9-11(15)13-10-12(16)5-7-17-8-6-12/h16H,3-10H2,1-2H3,(H,13,15)
InChIKeyLEBVUXLKMDJWDX-UHFFFAOYSA-N
XLogP0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide (CID 111484770) is 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide is CCN(CC)CC(=O)NCC1(O)CCSCC1.
What is the InChIKey of 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
The InChIKey is LEBVUXLKMDJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2S/c1-3-14(4-2)9-11(15)13-10-12(16)5-7-17-8-6-12/h16H,3-10H2,1-2H3,(H,13,15).
What are the key properties of 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide?
2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide has a molecular weight of 260.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(4-hydroxythian-4-yl)methyl]acetamide is sourced from PubChem (CID 111484770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).