2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide

C10H22N2O3S — CID 126707970

IUPAC2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
SMILESCN(C)CCSCC(=O)N(CCO)CCO
InChIInChI=1S/C10H22N2O3S/c1-11(2)5-8-16-9-10(15)12(3-6-13)4-7-14/h13-14H,3-9H2,1-2H3
InChIKeyUVHVPTMDSRZLLV-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.91
Rot. Bonds9

About 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide

2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide (PubChem CID 126707970) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
PubChem CID126707970
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide
SMILESCN(C)CCSCC(=O)N(CCO)CCO
InChIInChI=1S/C10H22N2O3S/c1-11(2)5-8-16-9-10(15)12(3-6-13)4-7-14/h13-14H,3-9H2,1-2H3
InChIKeyUVHVPTMDSRZLLV-UHFFFAOYSA-N
XLogP-0.91
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide (CID 126707970) is 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide is CN(C)CCSCC(=O)N(CCO)CCO.
What is the InChIKey of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide?
The InChIKey is UVHVPTMDSRZLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-11(2)5-8-16-9-10(15)12(3-6-13)4-7-14/h13-14H,3-9H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide?
2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide has a molecular weight of 250.36 g/mol, XLogP of -0.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylsulfanyl]-N,N-bis(2-hydroxyethyl)acetamide is sourced from PubChem (CID 126707970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).