N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide

C10H20N2O3S — CID 80563306

IUPACN-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCC1CCNC1)C1CCOCC1
InChIInChI=1S/C10H20N2O3S/c13-16(14,10-2-5-15-6-3-10)12-8-9-1-4-11-7-9/h9-12H,1-8H2
InChIKeySJKRNDZSDCGPDF-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.31
Rot. Bonds4

About N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide

N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide (PubChem CID 80563306) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
PubChem CID80563306
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide
SMILESO=S(=O)(NCC1CCNC1)C1CCOCC1
InChIInChI=1S/C10H20N2O3S/c13-16(14,10-2-5-15-6-3-10)12-8-9-1-4-11-7-9/h9-12H,1-8H2
InChIKeySJKRNDZSDCGPDF-UHFFFAOYSA-N
XLogP-0.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3S,4R)-4-[(dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-yl}-1-ethanesulfonamide
CID 91923054
N-[[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210456
N-[[(3R)-1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210868
1-ethylsulfonyl-N-(oxolan-3-ylmethyl)piperidin-4-amine
CID 43208067
N-(oxolan-3-ylmethyl)-1-propylsulfonylpiperidin-4-amine
CID 43748003
N-methyl-N-(oxan-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972383
N-(oxolan-3-ylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 55119441
N-propyl-N-pyrrolidin-3-yloxane-4-sulfonamide
CID 55139077
N-methyl-1-[1-(oxan-4-ylsulfonyl)pyrrolidin-3-yl]methanamine
CID 55167517
1-(oxolan-2-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide
CID 55173540
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 55174695
N-methyl-N-(oxan-3-ylmethyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 55225492

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide (CID 80563306) is N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide is O=S(=O)(NCC1CCNC1)C1CCOCC1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
The InChIKey is SJKRNDZSDCGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c13-16(14,10-2-5-15-6-3-10)12-8-9-1-4-11-7-9/h9-12H,1-8H2.
What are the key properties of N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide?
N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide has a molecular weight of 248.35 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)oxane-4-sulfonamide is sourced from PubChem (CID 80563306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).