N-[[ethyl(sulfanyl)amino]methyl]acetamide

C5H12N2OS — CID 18914862

IUPACN-[[ethyl(sulfanyl)amino]methyl]acetamide
SMILESCCN(S)CNC(C)=O
InChIInChI=1S/C5H12N2OS/c1-3-7(9)4-6-5(2)8/h9H,3-4H2,1-2H3,(H,6,8)
InChIKeyDTVVHPGZDSSXDA-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.25
Rot. Bonds3

About N-[[ethyl(sulfanyl)amino]methyl]acetamide

N-[[ethyl(sulfanyl)amino]methyl]acetamide (PubChem CID 18914862) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is N-[[ethyl(sulfanyl)amino]methyl]acetamide.

Molecular Properties

Compound NameN-[[ethyl(sulfanyl)amino]methyl]acetamide
PubChem CID18914862
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC NameN-[[ethyl(sulfanyl)amino]methyl]acetamide
SMILESCCN(S)CNC(C)=O
InChIInChI=1S/C5H12N2OS/c1-3-7(9)4-6-5(2)8/h9H,3-4H2,1-2H3,(H,6,8)
InChIKeyDTVVHPGZDSSXDA-UHFFFAOYSA-N
XLogP0.25
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N,N'-ethylidenebis-
CID 79259
N,N'-Methylenebis(acetamide)
CID 77460
Acetamide, N-((dimethylamino)methyl)-
CID 96002
N-(Bis-acetylamino-methyl)-acetamide
CID 536854
N-((Diethylamino)methyl)acetamide
CID 13029866
1,3-Diethyl-1-sulfanylurea
CID 57292157
N-[[acetyl(methyl)amino]methyl]acetamide
CID 12663134
N-(1-aminoethyl)acetamide
CID 18315181
Acetamidomethyl-ethyl-dimethylazanium
CID 18335916
Acetamidomethyl(trimethyl)azanium
CID 18711576
N-(methylaminomethyl)acetamide
CID 18725552
N-[(acetamidomethylamino)methyl]acetamide
CID 19360940

Frequently Asked Questions

What is the IUPAC name of N-[[ethyl(sulfanyl)amino]methyl]acetamide?
The IUPAC name of N-[[ethyl(sulfanyl)amino]methyl]acetamide (CID 18914862) is N-[[ethyl(sulfanyl)amino]methyl]acetamide.
What is the SMILES notation for N-[[ethyl(sulfanyl)amino]methyl]acetamide?
The canonical SMILES for N-[[ethyl(sulfanyl)amino]methyl]acetamide is CCN(S)CNC(C)=O.
What is the InChIKey of N-[[ethyl(sulfanyl)amino]methyl]acetamide?
The InChIKey is DTVVHPGZDSSXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-3-7(9)4-6-5(2)8/h9H,3-4H2,1-2H3,(H,6,8).
What are the key properties of N-[[ethyl(sulfanyl)amino]methyl]acetamide?
N-[[ethyl(sulfanyl)amino]methyl]acetamide has a molecular weight of 148.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[ethyl(sulfanyl)amino]methyl]acetamide is sourced from PubChem (CID 18914862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).