N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide

C11H20N2O4S3 — CID 58091987

IUPACN-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide
SMILESCC(=O)COCC(=O)NCC(=O)NC(CS)(CS)CS
InChIInChI=1S/C11H20N2O4S3/c1-8(14)3-17-4-10(16)12-2-9(15)13-11(5-18,6-19)7-20/h18-20H,2-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyDWSAKHZGTSKXRB-UHFFFAOYSA-N
MW340.49 g/mol
LogP-0.65
Rot. Bonds10

About N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide

N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide (PubChem CID 58091987) has the molecular formula C11H20N2O4S3 and a molecular weight of 340.49 g/mol. Its IUPAC name is N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide
PubChem CID58091987
Molecular FormulaC11H20N2O4S3
Molecular Weight340.49 g/mol
Exact Mass340.06
IUPAC NameN-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide
SMILESCC(=O)COCC(=O)NCC(=O)NC(CS)(CS)CS
InChIInChI=1S/C11H20N2O4S3/c1-8(14)3-17-4-10(16)12-2-9(15)13-11(5-18,6-19)7-20/h18-20H,2-7H2,1H3,(H,12,16)(H,13,15)
InChIKeyDWSAKHZGTSKXRB-UHFFFAOYSA-N
XLogP-0.65
TPSA84.50 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide?
The IUPAC name of N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide (CID 58091987) is N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide?
The canonical SMILES for N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide is CC(=O)COCC(=O)NCC(=O)NC(CS)(CS)CS.
What is the InChIKey of N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide?
The InChIKey is DWSAKHZGTSKXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S3/c1-8(14)3-17-4-10(16)12-2-9(15)13-11(5-18,6-19)7-20/h18-20H,2-7H2,1H3,(H,12,16)(H,13,15).
What are the key properties of N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide?
N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide has a molecular weight of 340.49 g/mol, XLogP of -0.65, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(sulfanyl)-2-(sulfanylmethyl)propan-2-yl]-2-[[2-(2-oxopropoxy)acetyl]amino]acetamide is sourced from PubChem (CID 58091987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).