1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide

C13H27N3O2S — CID 62989954

IUPAC1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCCN1CCCC1
InChIInChI=1S/C13H27N3O2S/c17-19(18,12-13-4-7-14-8-5-13)15-6-3-11-16-9-1-2-10-16/h13-15H,1-12H2
InChIKeyIROANRIYVXNBPW-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.39
Rot. Bonds7

About 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide (PubChem CID 62989954) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
PubChem CID62989954
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
SMILESO=S(=O)(CC1CCNCC1)NCCCN1CCCC1
InChIInChI=1S/C13H27N3O2S/c17-19(18,12-13-4-7-14-8-5-13)15-6-3-11-16-9-1-2-10-16/h13-15H,1-12H2
InChIKeyIROANRIYVXNBPW-UHFFFAOYSA-N
XLogP0.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 62992029
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
CID 54974104
1-cyclopentyl-N-[3-[2-(hydroxymethyl)piperidin-1-yl]propyl]methanesulfonamide
CID 131901098
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
2-(cyclopropylamino)-N-(3-pyrrolidin-1-ylpropyl)ethanesulfonamide
CID 114135066
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 62617015
1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
CID 106430217
N-(3-piperazin-1-ylpropyl)cyclopropanesulfonamide;dihydrochloride
CID 119994489
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The IUPAC name of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide (CID 62989954) is 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The canonical SMILES for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide is O=S(=O)(CC1CCNCC1)NCCCN1CCCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
The InChIKey is IROANRIYVXNBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c17-19(18,12-13-4-7-14-8-5-13)15-6-3-11-16-9-1-2-10-16/h13-15H,1-12H2.
What are the key properties of 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide?
1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide has a molecular weight of 289.44 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide is sourced from PubChem (CID 62989954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).