N-(ethylaminosulfanyl)formamide

C3H8N2OS — CID 54470686

IUPACN-(ethylaminosulfanyl)formamide
SMILESCCNSNC=O
InChIInChI=1S/C3H8N2OS/c1-2-4-7-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyZMIMGYPJRGJJGL-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.09
Rot. Bonds4

About N-(ethylaminosulfanyl)formamide

N-(ethylaminosulfanyl)formamide (PubChem CID 54470686) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is N-(ethylaminosulfanyl)formamide.

Molecular Properties

Compound NameN-(ethylaminosulfanyl)formamide
PubChem CID54470686
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC NameN-(ethylaminosulfanyl)formamide
SMILESCCNSNC=O
InChIInChI=1S/C3H8N2OS/c1-2-4-7-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyZMIMGYPJRGJJGL-UHFFFAOYSA-N
XLogP-0.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
N-(4-ethylphenyl)sulfanylethanamine;N-methylformamide
CID 144925775
N-[2-(ethylamino)ethyl]formamide
CID 54012560
ethane;N-methylformamide;octane
CID 164590964
N-ethylethanamine;sulfuryl dichloride
CID 174619621
N-(ethylsulfanylamino)formamide
CID 174418722
ethane;N-pentylformamide
CID 145350301
N-(1,2-13C2)ethyl(1,2-13C2)ethanamine
CID 71309791
N-ethylethanamine;oxoiron
CID 175322821
methane;bis(N-methylformamide);propanal
CID 158729110
carbon dioxide;bis(N-ethylethanamine)
CID 160826902
N-(1-methylsulfanylpropyl)formamide
CID 87799585

Frequently Asked Questions

What is the IUPAC name of N-(ethylaminosulfanyl)formamide?
The IUPAC name of N-(ethylaminosulfanyl)formamide (CID 54470686) is N-(ethylaminosulfanyl)formamide.
What is the SMILES notation for N-(ethylaminosulfanyl)formamide?
The canonical SMILES for N-(ethylaminosulfanyl)formamide is CCNSNC=O.
What is the InChIKey of N-(ethylaminosulfanyl)formamide?
The InChIKey is ZMIMGYPJRGJJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-2-4-7-5-3-6/h3-4H,2H2,1H3,(H,5,6).
What are the key properties of N-(ethylaminosulfanyl)formamide?
N-(ethylaminosulfanyl)formamide has a molecular weight of 120.18 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminosulfanyl)formamide is sourced from PubChem (CID 54470686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).