N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

C10H22FN3O2S — CID 114267248

IUPACN-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCF)CC1
InChIInChI=1S/C10H22FN3O2S/c1-12-9-10-3-7-14(8-4-10)17(15,16)13-6-2-5-11/h10,12-13H,2-9H2,1H3
InChIKeyGOXDZYCJXXEOLV-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.11
Rot. Bonds7

About N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 114267248) has the molecular formula C10H22FN3O2S and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID114267248
Molecular FormulaC10H22FN3O2S
Molecular Weight267.37 g/mol
Exact Mass267.14
IUPAC NameN-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCCF)CC1
InChIInChI=1S/C10H22FN3O2S/c1-12-9-10-3-7-14(8-4-10)17(15,16)13-6-2-5-11/h10,12-13H,2-9H2,1H3
InChIKeyGOXDZYCJXXEOLV-UHFFFAOYSA-N
XLogP0.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide (CID 114267248) is N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCCF)CC1.
What is the InChIKey of N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is GOXDZYCJXXEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FN3O2S/c1-12-9-10-3-7-14(8-4-10)17(15,16)13-6-2-5-11/h10,12-13H,2-9H2,1H3.
What are the key properties of N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 267.37 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-4-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114267248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).