N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide

C14H30N4O2S — CID 79311349

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H30N4O2S/c1-3-18-8-4-5-14(18)13-16(2)21(19,20)12-11-17-9-6-15-7-10-17/h14-15H,3-13H2,1-2H3
InChIKeyNSZXYVRYNLVAHU-UHFFFAOYSA-N
MW318.49 g/mol
LogP-0.36
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide (PubChem CID 79311349) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
PubChem CID79311349
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide
SMILESCCN1CCCC1CN(C)S(=O)(=O)CCN1CCNCC1
InChIInChI=1S/C14H30N4O2S/c1-3-18-8-4-5-14(18)13-16(2)21(19,20)12-11-17-9-6-15-7-10-17/h14-15H,3-13H2,1-2H3
InChIKeyNSZXYVRYNLVAHU-UHFFFAOYSA-N
XLogP-0.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanesulfonamide
CID 79319252
N,N-dimethyl-1-[1-(2-piperazin-1-ylethylsulfonyl)pyrrolidin-2-yl]methanamine
CID 62887804
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-3-(propylamino)propane-1-sulfonamide
CID 79318230
methyl 4-[(1-ethylpyrrolidin-2-yl)methyl-methylsulfamoyl]butanoate
CID 79314621
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 79313995
3-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]propane-1-sulfonamide
CID 79313720
N-(2-methoxyethyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 54972243
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]prop-2-enyl]piperazine
CID 117269424
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylbenzenesulfonamide
CID 79313037
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(hydroxymethyl)-N-methylpiperidine-1-sulfonamide
CID 79312053
N-(3-methoxypropyl)-N-methyl-2-piperazin-1-ylethanesulfonamide
CID 63009964
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 79315278

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide (CID 79311349) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide is CCN1CCCC1CN(C)S(=O)(=O)CCN1CCNCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide?
The InChIKey is NSZXYVRYNLVAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-3-18-8-4-5-14(18)13-16(2)21(19,20)12-11-17-9-6-15-7-10-17/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide has a molecular weight of 318.49 g/mol, XLogP of -0.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-2-piperazin-1-ylethanesulfonamide is sourced from PubChem (CID 79311349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).