3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

C10H20N2O3S — CID 43573762

IUPAC3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)12(4-5-13)10(15)3-6-16-7-9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyMWVXPVUNTXXCTH-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.18
Rot. Bonds8

About 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (PubChem CID 43573762) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
PubChem CID43573762
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCSCC(N)=O
InChIInChI=1S/C10H20N2O3S/c1-8(2)12(4-5-13)10(15)3-6-16-7-9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14)
InChIKeyMWVXPVUNTXXCTH-UHFFFAOYSA-N
XLogP-0.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (CID 43573762) is 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)CCSCC(N)=O.
What is the InChIKey of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is MWVXPVUNTXXCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-8(2)12(4-5-13)10(15)3-6-16-7-9(11)14/h8,13H,3-7H2,1-2H3,(H2,11,14).
What are the key properties of 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 248.35 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43573762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).