N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

C13H26N2O4S — CID 114951821

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2(O)CCOCC2)C1
InChIInChI=1S/C13H26N2O4S/c1-12-4-3-7-15(10-12)20(17,18)14(2)11-13(16)5-8-19-9-6-13/h12,16H,3-11H2,1-2H3
InChIKeyFDWCLIXFJFASCR-UHFFFAOYSA-N
MW306.43 g/mol
LogP0.44
Rot. Bonds4

About N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide

N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 114951821) has the molecular formula C13H26N2O4S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID114951821
Molecular FormulaC13H26N2O4S
Molecular Weight306.43 g/mol
Exact Mass306.16
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CC2(O)CCOCC2)C1
InChIInChI=1S/C13H26N2O4S/c1-12-4-3-7-15(10-12)20(17,18)14(2)11-13(16)5-8-19-9-6-13/h12,16H,3-11H2,1-2H3
InChIKeyFDWCLIXFJFASCR-UHFFFAOYSA-N
XLogP0.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-N-methylazepane-1-sulfonamide
CID 114951806
N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylpiperidine-1-sulfonamide
CID 115867678
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N,3-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)piperidine-1-sulfonamide
CID 43602810
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
1-acetyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 114951241
(3S)-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)piperidine-1-sulfonamide
CID 95280133
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanesulfonamide
CID 114950260

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 114951821) is N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CC2(O)CCOCC2)C1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is FDWCLIXFJFASCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4S/c1-12-4-3-7-15(10-12)20(17,18)14(2)11-13(16)5-8-19-9-6-13/h12,16H,3-11H2,1-2H3.
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide?
N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 306.43 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 114951821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).