1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

C9H20FN3O4S2 — CID 154789563

IUPAC1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C9H20FN3O4S2/c10-4-2-6-18(14,15)13-5-1-3-9(8-13)7-12-19(11,16)17/h9,12H,1-8H2,(H2,11,16,17)
InChIKeyFPKAFSQNLDXSDX-UHFFFAOYSA-N
MW317.41 g/mol
LogP-0.82
Rot. Bonds7

About 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine

1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (PubChem CID 154789563) has the molecular formula C9H20FN3O4S2 and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
PubChem CID154789563
Molecular FormulaC9H20FN3O4S2
Molecular Weight317.41 g/mol
Exact Mass317.09
IUPAC Name1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCN(S(=O)(=O)CCCF)C1
InChIInChI=1S/C9H20FN3O4S2/c10-4-2-6-18(14,15)13-5-1-3-9(8-13)7-12-19(11,16)17/h9,12H,1-8H2,(H2,11,16,17)
InChIKeyFPKAFSQNLDXSDX-UHFFFAOYSA-N
XLogP-0.82
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine (CID 154789563) is 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCN(S(=O)(=O)CCCF)C1.
What is the InChIKey of 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
The InChIKey is FPKAFSQNLDXSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FN3O4S2/c10-4-2-6-18(14,15)13-5-1-3-9(8-13)7-12-19(11,16)17/h9,12H,1-8H2,(H2,11,16,17).
What are the key properties of 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine?
1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine has a molecular weight of 317.41 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 154789563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).