5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine

C10H21F2N3O2S — CID 43252332

IUPAC5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H21F2N3O2S/c11-10(12)18(16,17)15-8-6-14(7-9-15)5-3-1-2-4-13/h10H,1-9,13H2
InChIKeyYCDPRWWFAAZQJB-UHFFFAOYSA-N
MW285.36 g/mol
LogP0.29
Rot. Bonds7

About 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine

5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43252332) has the molecular formula C10H21F2N3O2S and a molecular weight of 285.36 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
PubChem CID43252332
Molecular FormulaC10H21F2N3O2S
Molecular Weight285.36 g/mol
Exact Mass285.13
IUPAC Name5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine
SMILESNCCCCCN1CCN(S(=O)(=O)C(F)F)CC1
InChIInChI=1S/C10H21F2N3O2S/c11-10(12)18(16,17)15-8-6-14(7-9-15)5-3-1-2-4-13/h10H,1-9,13H2
InChIKeyYCDPRWWFAAZQJB-UHFFFAOYSA-N
XLogP0.29
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]methanesulfonamide
CID 77059137
1,1,1-trifluoro-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 20571260
Ethylpiperidinium Trifluoromethanesulfonate
CID 23134843
(3R)-1-(difluoromethylsulfonyl)piperidin-3-amine
CID 28607121
1-(Difluoromethylsulfonyl)piperidin-3-amine
CID 43200318
1-Trifluoromethanesulfonylpiperidin-3-amine
CID 43605498
N-[2-[4-(aminomethyl)piperidin-1-yl]ethyl]-1,1,1-trifluoromethanesulfonamide
CID 57993191
1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
CID 58736222
1-Trifluoromethanesulfonylpiperidin-3-aminehydrochloride
CID 66846267
N-(2-(4-(aminomethyl)piperidin-1-yl)ethyl)-1,1,1-trifluoromethanesulfonamide dihydrochloride salt
CID 67029054
1-Butylpiperidine;trifluoromethanesulfonamide
CID 67127201
Piperidine;trifluoromethanesulfonamide
CID 67134795

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine (CID 43252332) is 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine is NCCCCCN1CCN(S(=O)(=O)C(F)F)CC1.
What is the InChIKey of 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is YCDPRWWFAAZQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2N3O2S/c11-10(12)18(16,17)15-8-6-14(7-9-15)5-3-1-2-4-13/h10H,1-9,13H2.
What are the key properties of 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine?
5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 285.36 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfonyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43252332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).