5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine

C13H19NOS — CID 79862819

IUPAC5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)c2ccccc2)C1N
InChIInChI=1S/C13H19NOS/c1-13(2)9-8-11(12(13)14)16(15)10-6-4-3-5-7-10/h3-7,11-12H,8-9,14H2,1-2H3
InChIKeyLVZIZCMKWJKTSK-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.31
Rot. Bonds2

About 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine

5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine (PubChem CID 79862819) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
PubChem CID79862819
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(S(=O)c2ccccc2)C1N
InChIInChI=1S/C13H19NOS/c1-13(2)9-8-11(12(13)14)16(15)10-6-4-3-5-7-10/h3-7,11-12H,8-9,14H2,1-2H3
InChIKeyLVZIZCMKWJKTSK-UHFFFAOYSA-N
XLogP2.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine (CID 79862819) is 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine is CC1(C)CCC(S(=O)c2ccccc2)C1N.
What is the InChIKey of 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine?
The InChIKey is LVZIZCMKWJKTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2)9-8-11(12(13)14)16(15)10-6-4-3-5-7-10/h3-7,11-12H,8-9,14H2,1-2H3.
What are the key properties of 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine?
5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine has a molecular weight of 237.37 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinyl)-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79862819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).