2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine

C14H27NO3S — CID 107758146

IUPAC2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)C2CCOC2C)C1C
InChIInChI=1S/C14H27NO3S/c1-4-8-15-12-5-6-13(10(12)2)19(16,17)14-7-9-18-11(14)3/h10-15H,4-9H2,1-3H3
InChIKeyVLRDFOKWPYWJQK-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds5

About 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine

2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine (PubChem CID 107758146) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine
PubChem CID107758146
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC Name2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)(=O)C2CCOC2C)C1C
InChIInChI=1S/C14H27NO3S/c1-4-8-15-12-5-6-13(10(12)2)19(16,17)14-7-9-18-11(14)3/h10-15H,4-9H2,1-3H3
InChIKeyVLRDFOKWPYWJQK-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine?
The IUPAC name of 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine (CID 107758146) is 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine is CCCNC1CCC(S(=O)(=O)C2CCOC2C)C1C.
What is the InChIKey of 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine?
The InChIKey is VLRDFOKWPYWJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-4-8-15-12-5-6-13(10(12)2)19(16,17)14-7-9-18-11(14)3/h10-15H,4-9H2,1-3H3.
What are the key properties of 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine?
2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methyloxolan-3-yl)sulfonyl-N-propylcyclopentan-1-amine is sourced from PubChem (CID 107758146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).