N-(ethylsulfanylamino)formamide

C3H8N2OS — CID 174418722

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

About N-(ethylsulfanylamino)formamide

N-(ethylsulfanylamino)formamide (PubChem CID 174418722) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is N-(ethylsulfanylamino)formamide.

Molecular Properties

Compound NameN-(ethylsulfanylamino)formamide
PubChem CID174418722
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC NameN-(ethylsulfanylamino)formamide
SMILESCCSNNC=O
InChIInChI=1S/C3H8N2OS/c1-2-7-5-4-3-6/h3,5H,2H2,1H3,(H,4,6)
InChIKeyAKSNWCHUGZLBMV-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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylsulfanylamino)formamide?
The IUPAC name of N-(ethylsulfanylamino)formamide (CID 174418722) is N-(ethylsulfanylamino)formamide.
What is the SMILES notation for N-(ethylsulfanylamino)formamide?
The canonical SMILES for N-(ethylsulfanylamino)formamide is CCSNNC=O.
What is the InChIKey of N-(ethylsulfanylamino)formamide?
The InChIKey is AKSNWCHUGZLBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-2-7-5-4-3-6/h3,5H,2H2,1H3,(H,4,6).
What are the key properties of N-(ethylsulfanylamino)formamide?
N-(ethylsulfanylamino)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-(ethylsulfanylamino)formamide is sourced from PubChem (CID 174418722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).