N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide

C13H26N2O4S — CID 94171929

IUPACN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCOC[C@H]1CCCO1)N1CCCCC1
InChIInChI=1S/C13H26N2O4S/c16-20(17,15-8-2-1-3-9-15)14-7-5-10-18-12-13-6-4-11-19-13/h13-14H,1-12H2/t13-/m1/s1
InChIKeyAFDPTYIPVAIBHY-CYBMUJFWSA-N
MW306.43 g/mol
LogP0.89
Rot. Bonds8

About N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide

N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide (PubChem CID 94171929) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
PubChem CID94171929
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCCCOC[C@H]1CCCO1)N1CCCCC1
InChIInChI=1S/C13H26N2O4S/c16-20(17,15-8-2-1-3-9-15)14-7-5-10-18-12-13-6-4-11-19-13/h13-14H,1-12H2/t13-/m1/s1
InChIKeyAFDPTYIPVAIBHY-CYBMUJFWSA-N
XLogP0.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(oxolan-2-ylmethoxy)propyl]piperazine-1-sulfonamide
CID 61254669
N-[4-[(2S)-oxolan-2-yl]butyl]pyrrolidine-1-sulfonamide
CID 164633043
3-chloro-N-[3-(oxolan-2-ylmethoxy)propyl]propane-1-sulfonamide
CID 61248566
N-[3-(2-bromoethoxy)propyl]pyrrolidine-1-sulfonamide
CID 106304904
2,6-dichloro-N-[3-(oxolan-2-ylmethoxy)propyl]benzenesulfonamide
CID 24511243
4-[3-[[(2R)-oxolan-2-yl]methoxy]propylsulfamoyl]benzoic acid
CID 95153822
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
N-(cyclopentylmethyl)-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 62070862
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255
N-[3-(oxolan-2-ylmethoxy)propyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 24511253
3-N-[3-(oxolan-2-ylmethoxy)propyl]benzene-1,3-disulfonamide
CID 55512529

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide?
The IUPAC name of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide (CID 94171929) is N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide is O=S(=O)(NCCCOC[C@H]1CCCO1)N1CCCCC1.
What is the InChIKey of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide?
The InChIKey is AFDPTYIPVAIBHY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O4S/c16-20(17,15-8-2-1-3-9-15)14-7-5-10-18-12-13-6-4-11-19-13/h13-14H,1-12H2/t13-/m1/s1.
What are the key properties of N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide?
N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperidine-1-sulfonamide is sourced from PubChem (CID 94171929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).