2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide

C6H13N3O2S — CID 66218622

IUPAC2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide
SMILESCC(CN)SCC(=O)NC(N)=O
InChIInChI=1S/C6H13N3O2S/c1-4(2-7)12-3-5(10)9-6(8)11/h4H,2-3,7H2,1H3,(H3,8,9,10,11)
InChIKeySYZJLGJOXJEBRK-UHFFFAOYSA-N
MW191.26 g/mol
LogP-0.74
Rot. Bonds4

About 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide

2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide (PubChem CID 66218622) has the molecular formula C6H13N3O2S and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide
PubChem CID66218622
Molecular FormulaC6H13N3O2S
Molecular Weight191.26 g/mol
Exact Mass191.07
IUPAC Name2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide
SMILESCC(CN)SCC(=O)NC(N)=O
InChIInChI=1S/C6H13N3O2S/c1-4(2-7)12-3-5(10)9-6(8)11/h4H,2-3,7H2,1H3,(H3,8,9,10,11)
InChIKeySYZJLGJOXJEBRK-UHFFFAOYSA-N
XLogP-0.74
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705800
propan-2-yl 2-(1-aminopropan-2-ylsulfanyl)acetate
CID 66241823
2-(1-aminopropan-2-ylsulfanyl)-N-(2-methoxyethyl)acetamide
CID 66244137
2-(1-aminopropan-2-ylsulfanyl)-N-(4-propan-2-ylphenyl)acetamide
CID 66216878
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
2-(1-aminopropan-2-ylsulfanyl)-1-piperazin-1-ylethanone
CID 66244111
tert-butyl 2-(1-aminopropan-2-ylsulfanyl)acetate
CID 66244144
2-(1-aminopropan-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 66219365
2-(1-aminopropan-2-ylsulfanyl)-N-(2,5-dichlorophenyl)acetamide
CID 66220583
3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
CID 66218369
2-(1-aminopropan-2-ylsulfanyl)-N'-pyridin-2-ylacetohydrazide
CID 66244360
N-carbamoyl-2-propan-2-yloxyacetamide
CID 112604296

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide?
The IUPAC name of 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide (CID 66218622) is 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide.
What is the SMILES notation for 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide?
The canonical SMILES for 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide is CC(CN)SCC(=O)NC(N)=O.
What is the InChIKey of 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide?
The InChIKey is SYZJLGJOXJEBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2S/c1-4(2-7)12-3-5(10)9-6(8)11/h4H,2-3,7H2,1H3,(H3,8,9,10,11).
What are the key properties of 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide?
2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide has a molecular weight of 191.26 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropan-2-ylsulfanyl)-N-carbamoylacetamide is sourced from PubChem (CID 66218622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).