N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide

C14H29N3O3S — CID 131950598

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)N2CCC(COC)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-16-7-4-14(11-16)10-15-21(18,19)17-8-5-13(6-9-17)12-20-2/h13-15H,3-12H2,1-2H3
InChIKeySSJUFARPLRBQBJ-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.52
Rot. Bonds7

About N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide

N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (PubChem CID 131950598) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
PubChem CID131950598
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide
SMILESCCN1CCC(CNS(=O)(=O)N2CCC(COC)CC2)C1
InChIInChI=1S/C14H29N3O3S/c1-3-16-7-4-14(11-16)10-15-21(18,19)17-8-5-13(6-9-17)12-20-2/h13-15H,3-12H2,1-2H3
InChIKeySSJUFARPLRBQBJ-UHFFFAOYSA-N
XLogP0.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211909
3-(aminomethyl)-N-[(1-ethylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106053544
N-(cyclopentylmethyl)-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106026641
N-[1-(2-hydroxyethyl)piperidin-4-yl]-4-(methoxymethyl)piperidine-1-sulfonamide
CID 131913968
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]propane-1-sulfonamide
CID 60910513
(3R)-3-(methoxymethyl)pyrrolidine-1-sulfonamide
CID 96567876
N-[(1-ethylpyrrolidin-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 114135540
4-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]butane-1-sulfonamide
CID 116815189
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
4-(methoxymethyl)-N-(1,3-thiazol-4-ylmethyl)piperidine-1-sulfonamide
CID 122561984
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide (CID 131950598) is N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is CCN1CCC(CNS(=O)(=O)N2CCC(COC)CC2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
The InChIKey is SSJUFARPLRBQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-16-7-4-14(11-16)10-15-21(18,19)17-8-5-13(6-9-17)12-20-2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-4-(methoxymethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 131950598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).