CID 59369569

C8H13NS — CID 59369569

IUPAC—
SMILES[CH]/C=C/C(=S)N(CC)CC
InChIInChI=1S/C8H13NS/c1-4-7-8(10)9(5-2)6-3/h1,4,7H,5-6H2,2-3H3/b7-4+
InChIKeyDSTRDPALCBBWTO-QPJJXVBHSA-N
MW155.27 g/mol
LogP1.92
Rot. Bonds3

About CID 59369569

CID 59369569 (PubChem CID 59369569) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol.

Molecular Properties

Compound NameCID 59369569
PubChem CID59369569
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name—
SMILES[CH]/C=C/C(=S)N(CC)CC
InChIInChI=1S/C8H13NS/c1-4-7-8(10)9(5-2)6-3/h1,4,7H,5-6H2,2-3H3/b7-4+
InChIKeyDSTRDPALCBBWTO-QPJJXVBHSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59369569?
The IUPAC name of CID 59369569 (CID 59369569) is not available.
What is the SMILES notation for CID 59369569?
The canonical SMILES for CID 59369569 is [CH]/C=C/C(=S)N(CC)CC.
What is the InChIKey of CID 59369569?
The InChIKey is DSTRDPALCBBWTO-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-7-8(10)9(5-2)6-3/h1,4,7H,5-6H2,2-3H3/b7-4+.
What are the key properties of CID 59369569?
CID 59369569 has a molecular weight of 155.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59369569 is sourced from PubChem (CID 59369569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).