2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide

C9H19N3O2S — CID 66218210

IUPAC2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(N)CSCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C9H19N3O2S/c1-6(2)11-9(14)12-8(13)5-15-4-7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyAWXUARPFGUBUOL-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.30
Rot. Bonds5

About 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide

2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 66218210) has the molecular formula C9H19N3O2S and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID66218210
Molecular FormulaC9H19N3O2S
Molecular Weight233.34 g/mol
Exact Mass233.12
IUPAC Name2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(N)CSCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C9H19N3O2S/c1-6(2)11-9(14)12-8(13)5-15-4-7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13,14)
InChIKeyAWXUARPFGUBUOL-UHFFFAOYSA-N
XLogP0.30
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylpropanoic acid
CID 81223270
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
3-methyl-2-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbutanoic acid
CID 105353998
2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 66217234
methyl 2-[1-[[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylmethyl]cyclopropyl]acetate
CID 107775883
2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
CID 66219221
2-(2-aminopropylsulfanyl)-N-pyrimidin-2-ylacetamide
CID 66217003
3-(2-acetamido-2-oxoethyl)sulfanyl-2-aminopropanoic acid
CID 155907009
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide (CID 66218210) is 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide is CC(N)CSCC(=O)NC(=O)NC(C)C.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is AWXUARPFGUBUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2S/c1-6(2)11-9(14)12-8(13)5-15-4-7(3)10/h6-7H,4-5,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 233.34 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 66218210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).