3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine

C13H27NO2S — CID 116539636

IUPAC3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyOWSCLNXKKCYPAM-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.37
Rot. Bonds7

About 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine

3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine (PubChem CID 116539636) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
PubChem CID116539636
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(C)(CCCS(C)(=O)=O)C1
InChIInChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3
InChIKeyOWSCLNXKKCYPAM-UHFFFAOYSA-N
XLogP2.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine (CID 116539636) is 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine is CCCNC1CCC(C)(CCCS(C)(=O)=O)C1.
What is the InChIKey of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
The InChIKey is OWSCLNXKKCYPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-9-14-12-6-8-13(2,11-12)7-5-10-17(3,15)16/h12,14H,4-11H2,1-3H3.
What are the key properties of 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine?
3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine has a molecular weight of 261.43 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-methylsulfonylpropyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 116539636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).