N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide

C12H24FN3O2S — CID 173124493

IUPACN-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCN1CC[C@H](F)C1)N1CCCCC1
InChIInChI=1S/C12H24FN3O2S/c13-12-5-10-15(11-12)7-4-6-14-19(17,18)16-8-2-1-3-9-16/h12,14H,1-11H2/t12-/m0/s1
InChIKeySKOJPTPSHXQRPB-LBPRGKRZSA-N
MW293.41 g/mol
LogP0.74
Rot. Bonds6

About N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide

N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide (PubChem CID 173124493) has the molecular formula C12H24FN3O2S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide
PubChem CID173124493
Molecular FormulaC12H24FN3O2S
Molecular Weight293.41 g/mol
Exact Mass293.16
IUPAC NameN-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCN1CC[C@H](F)C1)N1CCCCC1
InChIInChI=1S/C12H24FN3O2S/c13-12-5-10-15(11-12)7-4-6-14-19(17,18)16-8-2-1-3-9-16/h12,14H,1-11H2/t12-/m0/s1
InChIKeySKOJPTPSHXQRPB-LBPRGKRZSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
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-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide (CID 173124493) is N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide is O=S(=O)(NCCCN1CC[C@H](F)C1)N1CCCCC1.
What is the InChIKey of N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide?
The InChIKey is SKOJPTPSHXQRPB-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H24FN3O2S/c13-12-5-10-15(11-12)7-4-6-14-19(17,18)16-8-2-1-3-9-16/h12,14H,1-11H2/t12-/m0/s1.
What are the key properties of N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide?
N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 173124493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).