N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide

C18H19NO2S — CID 11959830

IUPACN,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide
SMILESCN(C)C(=O)CS(=O)C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-18(22(21)12-17(20)19(2)3)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,12H2,1-3H3
InChIKeyCUTDHOCCJSABGC-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide

N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide (PubChem CID 11959830) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide
PubChem CID11959830
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC NameN,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide
SMILESCN(C)C(=O)CS(=O)C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C18H19NO2S/c1-18(22(21)12-17(20)19(2)3)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,12H2,1-3H3
InChIKeyCUTDHOCCJSABGC-UHFFFAOYSA-N
XLogP2.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide?
The IUPAC name of N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide (CID 11959830) is N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide.
What is the SMILES notation for N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide?
The canonical SMILES for N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide is CN(C)C(=O)CS(=O)C1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide?
The InChIKey is CUTDHOCCJSABGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-18(22(21)12-17(20)19(2)3)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11H,12H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide?
N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide has a molecular weight of 313.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(9-methylfluoren-9-yl)sulfinylacetamide is sourced from PubChem (CID 11959830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).