2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine

C14H23NO2S2 — CID 80526208

IUPAC2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-14(2,13-8-5-9-18-13)10-15-11-6-4-7-12(11)19(3,16)17/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3
InChIKeyJXSYAKQAYRTIPV-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.58
Rot. Bonds5

About 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine

2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine (PubChem CID 80526208) has the molecular formula C14H23NO2S2 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
PubChem CID80526208
Molecular FormulaC14H23NO2S2
Molecular Weight301.48 g/mol
Exact Mass301.12
IUPAC Name2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
SMILESCC(C)(CNC1CCCC1S(C)(=O)=O)c1cccs1
InChIInChI=1S/C14H23NO2S2/c1-14(2,13-8-5-9-18-13)10-15-11-6-4-7-12(11)19(3,16)17/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3
InChIKeyJXSYAKQAYRTIPV-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The IUPAC name of 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine (CID 80526208) is 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine.
What is the SMILES notation for 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The canonical SMILES for 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine is CC(C)(CNC1CCCC1S(C)(=O)=O)c1cccs1.
What is the InChIKey of 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
The InChIKey is JXSYAKQAYRTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S2/c1-14(2,13-8-5-9-18-13)10-15-11-6-4-7-12(11)19(3,16)17/h5,8-9,11-12,15H,4,6-7,10H2,1-3H3.
What are the key properties of 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine?
2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine has a molecular weight of 301.48 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine is sourced from PubChem (CID 80526208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).