CID 140647186

C16H20NOS+ — CID 140647186

IUPAC—
SMILESCc1ccccc1[S+](=O)(Cc1ccccc1)N(C)C
InChIInChI=1S/C16H20NOS/c1-14-9-7-8-12-16(14)19(18,17(2)3)13-15-10-5-4-6-11-15/h4-12H,13H2,1-3H3/q+1
InChIKeyITWPBEXNDJPGGE-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.53
Rot. Bonds4

About CID 140647186

CID 140647186 (PubChem CID 140647186) has the molecular formula C16H20NOS+ and a molecular weight of 274.41 g/mol.

Molecular Properties

Compound NameCID 140647186
PubChem CID140647186
Molecular FormulaC16H20NOS+
Molecular Weight274.41 g/mol
Exact Mass274.13
IUPAC Name—
SMILESCc1ccccc1[S+](=O)(Cc1ccccc1)N(C)C
InChIInChI=1S/C16H20NOS/c1-14-9-7-8-12-16(14)19(18,17(2)3)13-15-10-5-4-6-11-15/h4-12H,13H2,1-3H3/q+1
InChIKeyITWPBEXNDJPGGE-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 140647178
CID 140647178
benzene;1,2-xylene
CID 161464493
1-benzyl-2,2-dimethyl-1-(2-methylphenyl)hydrazine
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CID 153234012
CID 153234012
N,N-dimethylmethanamine;2-phenylacetaldehyde
CID 87974312
butylbenzene;propylbenzene
CID 142022125
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
N-benzyl-N-methylprop-1-yn-1-amine;hydrochloride
CID 23615885
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1,2-xylene
CID 173422016
1-methyl-2-(2-methylphenyl)tellanylbenzene
CID 10859852

Frequently Asked Questions

What is the IUPAC name of CID 140647186?
The IUPAC name of CID 140647186 (CID 140647186) is not available.
What is the SMILES notation for CID 140647186?
The canonical SMILES for CID 140647186 is Cc1ccccc1[S+](=O)(Cc1ccccc1)N(C)C.
What is the InChIKey of CID 140647186?
The InChIKey is ITWPBEXNDJPGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NOS/c1-14-9-7-8-12-16(14)19(18,17(2)3)13-15-10-5-4-6-11-15/h4-12H,13H2,1-3H3/q+1.
What are the key properties of CID 140647186?
CID 140647186 has a molecular weight of 274.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140647186 is sourced from PubChem (CID 140647186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).