N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide

C6H13NO3S — CID 163386156

IUPACN-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide
SMILESCCN(CCO)C(=O)S(C)=O
InChIInChI=1S/C6H13NO3S/c1-3-7(4-5-8)6(9)11(2)10/h8H,3-5H2,1-2H3
InChIKeyDXHVKFOYSKHQKG-UHFFFAOYSA-N
MW179.24 g/mol
LogP-0.20
Rot. Bonds3

About N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide

N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide (PubChem CID 163386156) has the molecular formula C6H13NO3S and a molecular weight of 179.24 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide
PubChem CID163386156
Molecular FormulaC6H13NO3S
Molecular Weight179.24 g/mol
Exact Mass179.06
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide
SMILESCCN(CCO)C(=O)S(C)=O
InChIInChI=1S/C6H13NO3S/c1-3-7(4-5-8)6(9)11(2)10/h8H,3-5H2,1-2H3
InChIKeyDXHVKFOYSKHQKG-UHFFFAOYSA-N
XLogP-0.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl(2-hydroxyethyl)carbamic acid
CID 23202017
3-bromo-N-ethyl-N-(2-hydroxyethyl)prop-2-ynamide
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CID 78855550
2-[ethyl-[ethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
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N-ethyl-2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)benzamide
CID 60722923
N-ethyl-2-(ethylamino)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 62835692
N-(2-hydroxyethyl)-N-methylmethanesulfinamide
CID 130979316
N,N-bis(2-hydroxyethyl)butanamide
CID 14455174
N-ethyl-N-(2-hydroxyethyl)pent-4-enamide
CID 62678717
(2R)-2-amino-N-ethyl-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 103929214
N-ethyl-N-(2-hydroxyethyl)-3-phenylprop-2-ynamide
CID 60957047
N-(2-hydroxyethyl)-N-[3-[2-hydroxyethyl(propanoyl)amino]propyl]propanamide
CID 20740586

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide (CID 163386156) is N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide is CCN(CCO)C(=O)S(C)=O.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide?
The InChIKey is DXHVKFOYSKHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S/c1-3-7(4-5-8)6(9)11(2)10/h8H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide?
N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide has a molecular weight of 179.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-1-methylsulfinylformamide is sourced from PubChem (CID 163386156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).