CID 69259223

C9H13KNOS — CID 69259223

IUPAC—
SMILESCCN(CC)C(=O)c1cccs1.[K]
InChIInChI=1S/C9H13NOS.K/c1-3-10(4-2)9(11)8-6-5-7-12-8;/h5-7H,3-4H2,1-2H3;
InChIKeyFPESLGINCMNWTM-UHFFFAOYSA-N
MW222.37 g/mol
LogP1.85
Rot. Bonds3

About CID 69259223

CID 69259223 (PubChem CID 69259223) has the molecular formula C9H13KNOS and a molecular weight of 222.37 g/mol.

Molecular Properties

Compound NameCID 69259223
PubChem CID69259223
Molecular FormulaC9H13KNOS
Molecular Weight222.37 g/mol
Exact Mass222.04
IUPAC Name—
SMILESCCN(CC)C(=O)c1cccs1.[K]
InChIInChI=1S/C9H13NOS.K/c1-3-10(4-2)9(11)8-6-5-7-12-8;/h5-7H,3-4H2,1-2H3;
InChIKeyFPESLGINCMNWTM-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
N-ethyl-N-hexadecylthiophene-2-carboxamide
CID 91704886
3-deuterio-N,N-diethylthiophene-2-carboxamide
CID 134976041
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]thiophene-2-carboxamide
CID 60643349
N-heptyl-N-octylthiophene-2-carboxamide
CID 532904
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
CID 22925217
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-propyl-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
CID 91704675
N,N-bis(cyanomethyl)thiophene-2-carboxamide
CID 710672
N,N-diethyl-4-thiophen-2-ylbenzamide
CID 4730824
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245

Frequently Asked Questions

What is the IUPAC name of CID 69259223?
The IUPAC name of CID 69259223 (CID 69259223) is not available.
What is the SMILES notation for CID 69259223?
The canonical SMILES for CID 69259223 is CCN(CC)C(=O)c1cccs1.[K].
What is the InChIKey of CID 69259223?
The InChIKey is FPESLGINCMNWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS.K/c1-3-10(4-2)9(11)8-6-5-7-12-8;/h5-7H,3-4H2,1-2H3;.
What are the key properties of CID 69259223?
CID 69259223 has a molecular weight of 222.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69259223 is sourced from PubChem (CID 69259223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).