2-benzylsulfonyl-1-cyclopentylethanamine

C14H21NO2S — CID 104753906

IUPAC2-benzylsulfonyl-1-cyclopentylethanamine
SMILESNC(CS(=O)(=O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C14H21NO2S/c15-14(13-8-4-5-9-13)11-18(16,17)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,15H2
InChIKeyZJGULWSDBHIEKJ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.12
Rot. Bonds5

About 2-benzylsulfonyl-1-cyclopentylethanamine

2-benzylsulfonyl-1-cyclopentylethanamine (PubChem CID 104753906) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-benzylsulfonyl-1-cyclopentylethanamine.

Molecular Properties

Compound Name2-benzylsulfonyl-1-cyclopentylethanamine
PubChem CID104753906
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-benzylsulfonyl-1-cyclopentylethanamine
SMILESNC(CS(=O)(=O)Cc1ccccc1)C1CCCC1
InChIInChI=1S/C14H21NO2S/c15-14(13-8-4-5-9-13)11-18(16,17)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,15H2
InChIKeyZJGULWSDBHIEKJ-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-1-cyclopentylethanamine?
The IUPAC name of 2-benzylsulfonyl-1-cyclopentylethanamine (CID 104753906) is 2-benzylsulfonyl-1-cyclopentylethanamine.
What is the SMILES notation for 2-benzylsulfonyl-1-cyclopentylethanamine?
The canonical SMILES for 2-benzylsulfonyl-1-cyclopentylethanamine is NC(CS(=O)(=O)Cc1ccccc1)C1CCCC1.
What is the InChIKey of 2-benzylsulfonyl-1-cyclopentylethanamine?
The InChIKey is ZJGULWSDBHIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c15-14(13-8-4-5-9-13)11-18(16,17)10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,15H2.
What are the key properties of 2-benzylsulfonyl-1-cyclopentylethanamine?
2-benzylsulfonyl-1-cyclopentylethanamine has a molecular weight of 267.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-1-cyclopentylethanamine is sourced from PubChem (CID 104753906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).