N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide

C9H18F2N2O2S — CID 43137009

IUPACN-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13(7-3-6-12)8-4-1-2-5-8/h8-9H,1-7,12H2
InChIKeyRDYPKDLZRZFRSB-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.13
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide

N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (PubChem CID 43137009) has the molecular formula C9H18F2N2O2S and a molecular weight of 256.32 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
PubChem CID43137009
Molecular FormulaC9H18F2N2O2S
Molecular Weight256.32 g/mol
Exact Mass256.11
IUPAC NameN-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide
SMILESNCCCN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13(7-3-6-12)8-4-1-2-5-8/h8-9H,1-7,12H2
InChIKeyRDYPKDLZRZFRSB-UHFFFAOYSA-N
XLogP1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide (CID 43137009) is N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide is NCCCN(C1CCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
The InChIKey is RDYPKDLZRZFRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2S/c10-9(11)16(14,15)13(7-3-6-12)8-4-1-2-5-8/h8-9H,1-7,12H2.
What are the key properties of N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide?
N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide has a molecular weight of 256.32 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopentyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 43137009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).