2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide

C16H30N2O2S — CID 90606966

IUPAC2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide
SMILESCN(C)CCN(C(=O)CSC1CCCC1)C1CCOCC1
InChIInChI=1S/C16H30N2O2S/c1-17(2)9-10-18(14-7-11-20-12-8-14)16(19)13-21-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3
InChIKeyKZWKRPRRDGXOFT-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.23
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide

2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide (PubChem CID 90606966) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide
PubChem CID90606966
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide
SMILESCN(C)CCN(C(=O)CSC1CCCC1)C1CCOCC1
InChIInChI=1S/C16H30N2O2S/c1-17(2)9-10-18(14-7-11-20-12-8-14)16(19)13-21-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3
InChIKeyKZWKRPRRDGXOFT-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide (CID 90606966) is 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide is CN(C)CCN(C(=O)CSC1CCCC1)C1CCOCC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide?
The InChIKey is KZWKRPRRDGXOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-17(2)9-10-18(14-7-11-20-12-8-14)16(19)13-21-15-5-3-4-6-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide?
2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide has a molecular weight of 314.50 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[2-(dimethylamino)ethyl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 90606966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).