CID 59015648

C10H17N3S — CID 59015648

IUPAC—
SMILES[CH]c1n[nH]c(=S)n1CCCCCCC
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-7-8-13-9(2)11-12-10(13)14/h2H,3-8H2,1H3,(H,12,14)
InChIKeyYYVWXFBWYXHNBB-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.97
Rot. Bonds6

About CID 59015648

CID 59015648 (PubChem CID 59015648) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol.

Molecular Properties

Compound NameCID 59015648
PubChem CID59015648
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name—
SMILES[CH]c1n[nH]c(=S)n1CCCCCCC
InChIInChI=1S/C10H17N3S/c1-3-4-5-6-7-8-13-9(2)11-12-10(13)14/h2H,3-8H2,1H3,(H,12,14)
InChIKeyYYVWXFBWYXHNBB-UHFFFAOYSA-N
XLogP2.97
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59015648?
The IUPAC name of CID 59015648 (CID 59015648) is not available.
What is the SMILES notation for CID 59015648?
The canonical SMILES for CID 59015648 is [CH]c1n[nH]c(=S)n1CCCCCCC.
What is the InChIKey of CID 59015648?
The InChIKey is YYVWXFBWYXHNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-3-4-5-6-7-8-13-9(2)11-12-10(13)14/h2H,3-8H2,1H3,(H,12,14).
What are the key properties of CID 59015648?
CID 59015648 has a molecular weight of 211.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59015648 is sourced from PubChem (CID 59015648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).