2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine

C13H25NO3S — CID 64674512

IUPAC2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H25NO3S/c1-2-8-14-12-4-3-5-13(12)18(15,16)11-6-9-17-10-7-11/h11-14H,2-10H2,1H3
InChIKeyQRLSMWMTXDLUET-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.50
Rot. Bonds5

About 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine

2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine (PubChem CID 64674512) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
PubChem CID64674512
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1S(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H25NO3S/c1-2-8-14-12-4-3-5-13(12)18(15,16)11-6-9-17-10-7-11/h11-14H,2-10H2,1H3
InChIKeyQRLSMWMTXDLUET-UHFFFAOYSA-N
XLogP1.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine (CID 64674512) is 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
The InChIKey is QRLSMWMTXDLUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-2-8-14-12-4-3-5-13(12)18(15,16)11-6-9-17-10-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine?
2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine has a molecular weight of 275.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfonyl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 64674512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).