2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide

C12H25NO2S — CID 66103337

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-4-6-13(7-5-2)12(15)10-16-9-11(3)8-14/h11,14H,4-10H2,1-3H3
InChIKeyKNPGYXXCFFVMNV-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.00
Rot. Bonds9

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide (PubChem CID 66103337) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
PubChem CID66103337
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CSCC(C)CO
InChIInChI=1S/C12H25NO2S/c1-4-6-13(7-5-2)12(15)10-16-9-11(3)8-14/h11,14H,4-10H2,1-3H3
InChIKeyKNPGYXXCFFVMNV-UHFFFAOYSA-N
XLogP2.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide (CID 66103337) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CSCC(C)CO.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide?
The InChIKey is KNPGYXXCFFVMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-4-6-13(7-5-2)12(15)10-16-9-11(3)8-14/h11,14H,4-10H2,1-3H3.
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide has a molecular weight of 247.40 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N,N-dipropylacetamide is sourced from PubChem (CID 66103337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).