N-(2-amino-2-sulfanylideneethyl)propanamide

C5H10N2OS — CID 61126887

IUPACN-(2-amino-2-sulfanylideneethyl)propanamide
SMILESCCC(=O)NCC(N)=S
InChIInChI=1S/C5H10N2OS/c1-2-5(8)7-3-4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8)
InChIKeyNBYOJEJZKHJAEA-UHFFFAOYSA-N
MW146.22 g/mol
LogP-0.20
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)propanamide

N-(2-amino-2-sulfanylideneethyl)propanamide (PubChem CID 61126887) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)propanamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)propanamide
PubChem CID61126887
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC NameN-(2-amino-2-sulfanylideneethyl)propanamide
SMILESCCC(=O)NCC(N)=S
InChIInChI=1S/C5H10N2OS/c1-2-5(8)7-3-4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8)
InChIKeyNBYOJEJZKHJAEA-UHFFFAOYSA-N
XLogP-0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)propanamide
CID 62665728
N-(2-oxopropyl)propanamide
CID 23550155
CID 59109308
CID 59109308
3-(2-amino-2-sulfanylideneethyl)-1-ethyl-1-methylurea
CID 79159558
N-(2-amino-2-sulfanylideneethyl)-2-methylpropanamide
CID 61127271
N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
CID 61127296
ethyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]acetate
CID 60812140
N-[2-(carbamoylamino)ethyl]propanamide
CID 78993883
methyl 2-[[2-[(2-amino-2-sulfanylideneethyl)amino]-2-oxoacetyl]amino]acetate
CID 43316324
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-(2-amino-2-sulfanylideneethyl)-2-(4-methoxyphenyl)acetamide
CID 61127076
N-(2-amino-2-sulfanylideneethyl)-N'-(2,2-dimethylpropyl)oxamide
CID 61167659

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)propanamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)propanamide (CID 61126887) is N-(2-amino-2-sulfanylideneethyl)propanamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)propanamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)propanamide is CCC(=O)NCC(N)=S.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)propanamide?
The InChIKey is NBYOJEJZKHJAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c1-2-5(8)7-3-4(6)9/h2-3H2,1H3,(H2,6,9)(H,7,8).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)propanamide?
N-(2-amino-2-sulfanylideneethyl)propanamide has a molecular weight of 146.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)propanamide is sourced from PubChem (CID 61126887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).