2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide

C6H14N2OS — CID 24704933

IUPAC2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCCN
InChIInChI=1S/C6H14N2OS/c1-8(2)6(9)5-10-4-3-7/h3-5,7H2,1-2H3
InChIKeyRKLAQGBFZWDSGR-UHFFFAOYSA-N
MW162.26 g/mol
LogP-0.23
Rot. Bonds4

About 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide

2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide (PubChem CID 24704933) has the molecular formula C6H14N2OS and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide
PubChem CID24704933
Molecular FormulaC6H14N2OS
Molecular Weight162.26 g/mol
Exact Mass162.08
IUPAC Name2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CSCCN
InChIInChI=1S/C6H14N2OS/c1-8(2)6(9)5-10-4-3-7/h3-5,7H2,1-2H3
InChIKeyRKLAQGBFZWDSGR-UHFFFAOYSA-N
XLogP-0.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-amino-2-methylpropyl)sulfanyl-N,N-dimethylacetamide
CID 66227187
2-(4-aminobutan-2-ylsulfanyl)-N,N-dimethylacetamide
CID 66229987
2-(2-aminoethylsulfanyl)-N-benzyl-N-ethylacetamide
CID 43249408
ethyl 2-amino-6-[2-(dimethylamino)-2-oxoethyl]sulfanyl-2-methylhexanoate
CID 114234529
N-(2-cyanoethyl)-3-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-methylpropanamide
CID 114233668
2-[4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]-N,N-dimethylacetamide
CID 43249455
2-(3-aminopropylsulfanyl)-N-cyclopropyl-N-ethylacetamide
CID 66219814
2-(2-aminoethylsulfanyl)-N-[2-(diethylamino)ethyl]acetamide
CID 84555660
N-ethyl-2-(2-hydroxyethylsulfanyl)-N-methylacetamide
CID 43502624
2-butylsulfanyl-N,N-diethylacetamide
CID 12528633
2-[3-[2-(dipropylamino)-2-oxoethyl]sulfanylpropylsulfanyl]-N,N-dipropylacetamide
CID 71326230
butyl 2-(2-aminoethylsulfanyl)acetate;hydrochloride
CID 118981989

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide (CID 24704933) is 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide is CN(C)C(=O)CSCCN.
What is the InChIKey of 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide?
The InChIKey is RKLAQGBFZWDSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2OS/c1-8(2)6(9)5-10-4-3-7/h3-5,7H2,1-2H3.
What are the key properties of 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide?
2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide has a molecular weight of 162.26 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)-N,N-dimethylacetamide is sourced from PubChem (CID 24704933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).