N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 106610223

IUPACN-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(CCO)CC2CCCN2)C1
InChIInChI=1S/C14H29N3O3S/c1-12-8-13(2)10-17(9-12)21(19,20)16(6-7-18)11-14-4-3-5-15-14/h12-15,18H,3-11H2,1-2H3
InChIKeyANZUFRSWGROXDC-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.26
Rot. Bonds6

About N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide

N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106610223) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
PubChem CID106610223
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)N(CCO)CC2CCCN2)C1
InChIInChI=1S/C14H29N3O3S/c1-12-8-13(2)10-17(9-12)21(19,20)16(6-7-18)11-14-4-3-5-15-14/h12-15,18H,3-11H2,1-2H3
InChIKeyANZUFRSWGROXDC-UHFFFAOYSA-N
XLogP0.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-propyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608418
N-cyclopropyl-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106599585
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
N-ethyl-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608209
N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106608896
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethylpiperidine-1-sulfonamide
CID 102675737
N-ethyl-4-methyl-N-(piperidin-2-ylmethyl)piperidine-1-sulfonamide
CID 106630251
propan-2-yl N-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106610356
N-(2-hydroxyethyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610190
4-ethyl-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610228
N-ethyl-3,5-dimethyl-N-(piperidin-3-ylmethyl)piperidine-1-sulfonamide
CID 106631107
2,4-difluoro-N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 106610277

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide (CID 106610223) is N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)N(CCO)CC2CCCN2)C1.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is ANZUFRSWGROXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-12-8-13(2)10-17(9-12)21(19,20)16(6-7-18)11-14-4-3-5-15-14/h12-15,18H,3-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide?
N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106610223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).