N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide

C14H23N3O3S — CID 97058706

IUPACN-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C14H23N3O3S/c1-2-21(18,19)16-8-4-9-17-10-6-14(12-17)20-13-5-3-7-15-11-13/h3,5,7,11,14,16H,2,4,6,8-10,12H2,1H3/t14-/m0/s1
InChIKeySPMBSNRXFQQBKP-AWEZNQCLSA-N
MW313.42 g/mol
LogP0.86
Rot. Bonds8

About N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide

N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide (PubChem CID 97058706) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
PubChem CID97058706
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC NameN-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCCN1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C14H23N3O3S/c1-2-21(18,19)16-8-4-9-17-10-6-14(12-17)20-13-5-3-7-15-11-13/h3,5,7,11,14,16H,2,4,6,8-10,12H2,1H3/t14-/m0/s1
InChIKeySPMBSNRXFQQBKP-AWEZNQCLSA-N
XLogP0.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
3-[(3S)-1-(2-methylsulfonylethylsulfonyl)pyrrolidin-3-yl]oxypyridine
CID 129325414
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
3-[1-(3,5-diethyl-1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 128970089
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
3-[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 75495315
N-(5-amino-2-fluorophenyl)-3-(3-pyridin-3-yloxypyrrolidin-1-yl)propanamide
CID 126807162
4-(3-pyridin-3-yloxypyrrolidin-1-yl)sulfonylmorpholine
CID 75495327
(3R)-N-(2-methoxyethyl)-N-methyl-3-pyridin-3-yloxypyrrolidine-1-sulfonamide
CID 129425283
1-[2-(4-pyridin-3-yloxypiperidin-1-yl)ethyl]indazole
CID 28853306

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide?
The IUPAC name of N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide (CID 97058706) is N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide?
The canonical SMILES for N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide is CCS(=O)(=O)NCCCN1CC[C@H](Oc2cccnc2)C1.
What is the InChIKey of N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide?
The InChIKey is SPMBSNRXFQQBKP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-21(18,19)16-8-4-9-17-10-6-14(12-17)20-13-5-3-7-15-11-13/h3,5,7,11,14,16H,2,4,6,8-10,12H2,1H3/t14-/m0/s1.
What are the key properties of N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide?
N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]propyl]ethanesulfonamide is sourced from PubChem (CID 97058706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).