CID 59866918

C11H21N4O2S — CID 59866918

IUPAC—
SMILESNC(=O)[CH]CSCC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H21N4O2S/c12-10(16)1-8-18-9-11(17)14-4-7-15-5-2-13-3-6-15/h1,13H,2-9H2,(H2,12,16)(H,14,17)
InChIKeyQXZUYDISVWOEBI-UHFFFAOYSA-N
MW273.38 g/mol
LogP-1.57
Rot. Bonds8

About CID 59866918

CID 59866918 (PubChem CID 59866918) has the molecular formula C11H21N4O2S and a molecular weight of 273.38 g/mol.

Molecular Properties

Compound NameCID 59866918
PubChem CID59866918
Molecular FormulaC11H21N4O2S
Molecular Weight273.38 g/mol
Exact Mass273.14
IUPAC Name—
SMILESNC(=O)[CH]CSCC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H21N4O2S/c12-10(16)1-8-18-9-11(17)14-4-7-15-5-2-13-3-6-15/h1,13H,2-9H2,(H2,12,16)(H,14,17)
InChIKeyQXZUYDISVWOEBI-UHFFFAOYSA-N
XLogP-1.57
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-3-(methylsulfanyl)-1-(piperazin-1-yl)propan-1-one
CID 82506609
2-(2-Aminoethylsulfanyl)-2-fluoro-1-piperazin-1-ylethanone
CID 153586717
1-Thia-4,7,10,13-tetraazacyclopentadecane-3,14-dione
CID 12342761
S-(2-methyl-3-oxo-3-piperazin-1-ylpropyl) ethanethioate
CID 17778075
3-(1-acetamidoethylsulfanyl)-N-(2-aminoethyl)propanamide
CID 19593905
2-[2-(2-Acetamidoethylamino)-2-oxoethyl]sulfanylpropanamide
CID 20704195
N-[2-(3-ethylsulfanylpropanoylamino)ethyl]-3-methylsulfanylpropanamide
CID 20768538
S-[(2R)-2-acetamido-3-(4-methylpiperazin-1-yl)-3-oxopropyl] ethanethioate
CID 24952890
3-methylsulfanyl-N-(3-piperazin-1-ylpropyl)propanamide
CID 43443315
S-(2-oxo-2-piperazin-1-ylethyl) ethanethioate
CID 54184214
S-(2-acetamidoethyl) 4-methylpiperazine-1-carbothioate
CID 54292163
3-(2-acetamidoethylsulfanyl)-N-(2-aminoethyl)propanamide
CID 54316034

Frequently Asked Questions

What is the IUPAC name of CID 59866918?
The IUPAC name of CID 59866918 (CID 59866918) is not available.
What is the SMILES notation for CID 59866918?
The canonical SMILES for CID 59866918 is NC(=O)[CH]CSCC(=O)NCCN1CCNCC1.
What is the InChIKey of CID 59866918?
The InChIKey is QXZUYDISVWOEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N4O2S/c12-10(16)1-8-18-9-11(17)14-4-7-15-5-2-13-3-6-15/h1,13H,2-9H2,(H2,12,16)(H,14,17).
What are the key properties of CID 59866918?
CID 59866918 has a molecular weight of 273.38 g/mol, XLogP of -1.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59866918 is sourced from PubChem (CID 59866918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).