N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

C14H29N3O3S — CID 79312053

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H29N3O3S/c1-3-16-8-5-7-14(16)11-15(2)21(19,20)17-9-4-6-13(10-17)12-18/h13-14,18H,3-12H2,1-2H3
InChIKeyXAWHVKKIBXGHRJ-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.35
Rot. Bonds6

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (PubChem CID 79312053) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
PubChem CID79312053
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)N1CCCC(CO)C1
InChIInChI=1S/C14H29N3O3S/c1-3-16-8-5-7-14(16)11-15(2)21(19,20)17-9-4-6-13(10-17)12-18/h13-14,18H,3-12H2,1-2H3
InChIKeyXAWHVKKIBXGHRJ-UHFFFAOYSA-N
XLogP0.35
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 54951889
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
CID 79319252
N-(cyclopropylmethyl)-N-methyl-3-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119960920
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 79311862
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 79311349
(1-butylsulfonylpiperidin-3-yl)methanol
CID 43589616
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylthiophene-2-sulfonamide
CID 79303073
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylpropan-1-ol
CID 115277941
N-[2-[ethyl(methyl)amino]ethyl]-3-(hydroxymethyl)piperidine-1-sulfonamide
CID 114134691

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide (CID 79312053) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is CCN1CCCC1CN(C)S(=O)(=O)N1CCCC(CO)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
The InChIKey is XAWHVKKIBXGHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-16-8-5-7-14(16)11-15(2)21(19,20)17-9-4-6-13(10-17)12-18/h13-14,18H,3-12H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide has a molecular weight of 319.47 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 79312053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).