N-propyl-3-propylsulfinylcyclopentan-1-amine

C11H23NOS — CID 64722656

IUPACN-propyl-3-propylsulfinylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)CCC)C1
InChIInChI=1S/C11H23NOS/c1-3-7-12-10-5-6-11(9-10)14(13)8-4-2/h10-12H,3-9H2,1-2H3
InChIKeyBLWQATRDVODTRY-UHFFFAOYSA-N
MW217.38 g/mol
LogP2.07
Rot. Bonds6

About N-propyl-3-propylsulfinylcyclopentan-1-amine

N-propyl-3-propylsulfinylcyclopentan-1-amine (PubChem CID 64722656) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is N-propyl-3-propylsulfinylcyclopentan-1-amine.

Molecular Properties

Compound NameN-propyl-3-propylsulfinylcyclopentan-1-amine
PubChem CID64722656
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC NameN-propyl-3-propylsulfinylcyclopentan-1-amine
SMILESCCCNC1CCC(S(=O)CCC)C1
InChIInChI=1S/C11H23NOS/c1-3-7-12-10-5-6-11(9-10)14(13)8-4-2/h10-12H,3-9H2,1-2H3
InChIKeyBLWQATRDVODTRY-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propyl-3-propylsulfinylcyclopentan-1-amine?
The IUPAC name of N-propyl-3-propylsulfinylcyclopentan-1-amine (CID 64722656) is N-propyl-3-propylsulfinylcyclopentan-1-amine.
What is the SMILES notation for N-propyl-3-propylsulfinylcyclopentan-1-amine?
The canonical SMILES for N-propyl-3-propylsulfinylcyclopentan-1-amine is CCCNC1CCC(S(=O)CCC)C1.
What is the InChIKey of N-propyl-3-propylsulfinylcyclopentan-1-amine?
The InChIKey is BLWQATRDVODTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-3-7-12-10-5-6-11(9-10)14(13)8-4-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-propyl-3-propylsulfinylcyclopentan-1-amine?
N-propyl-3-propylsulfinylcyclopentan-1-amine has a molecular weight of 217.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-propylsulfinylcyclopentan-1-amine is sourced from PubChem (CID 64722656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).