N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

C7H14N2O3S — CID 103705800

IUPACN-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(O)C(C)SCC(=O)NC(N)=O
InChIInChI=1S/C7H14N2O3S/c1-4(10)5(2)13-3-6(11)9-7(8)12/h4-5,10H,3H2,1-2H3,(H3,8,9,11,12)
InChIKeyFZIWPYURRUGLPX-UHFFFAOYSA-N
MW206.27 g/mol
LogP-0.32
Rot. Bonds4

About N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide

N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (PubChem CID 103705800) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
PubChem CID103705800
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC NameN-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
SMILESCC(O)C(C)SCC(=O)NC(N)=O
InChIInChI=1S/C7H14N2O3S/c1-4(10)5(2)13-3-6(11)9-7(8)12/h4-5,10H,3H2,1-2H3,(H3,8,9,11,12)
InChIKeyFZIWPYURRUGLPX-UHFFFAOYSA-N
XLogP-0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The IUPAC name of N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide (CID 103705800) is N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The canonical SMILES for N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is CC(O)C(C)SCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
The InChIKey is FZIWPYURRUGLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-4(10)5(2)13-3-6(11)9-7(8)12/h4-5,10H,3H2,1-2H3,(H3,8,9,11,12).
What are the key properties of N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide?
N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide has a molecular weight of 206.27 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(3-hydroxybutan-2-ylsulfanyl)acetamide is sourced from PubChem (CID 103705800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).