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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Related Compounds

1-(2-ethoxyethylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 63246538
1-cyclohexylsulfonyl-3-[(sulfamoylamino)methyl]piperidine
CID 61132450
1-(oxan-4-ylsulfonyl)-3-[(sulfamoylamino)methyl]piperidine
CID 62048466
1-(1-butylsulfonylpiperidin-3-yl)-N-methylmethanamine;hydrochloride
CID 119960991
3-[3-(methoxymethyl)piperidin-1-yl]sulfonylpropan-1-amine
CID 106586707
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]sulfonylbutanoic acid
CID 63241611
[1-(4,4,4-trifluorobutylsulfonyl)piperidin-3-yl]methanol
CID 83059984
N-[[1-(3-methoxypropylsulfonyl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63879116
1-[1-(3-fluoropropylsulfonyl)piperidin-4-yl]-N-methylmethanamine
CID 119978040
N-[[(3R)-1-butylsulfonylpiperidin-3-yl]methyl]-2,2-dimethylpropanamide
CID 95331028
2-[1-(2-aminoethylsulfonyl)piperidin-3-yl]ethanol
CID 107227327
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616

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).