N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C14H30N4O2S — CID 106017718

IUPACN-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)N2CCCCC2CNC)C1
InChIInChI=1S/C14H30N4O2S/c1-3-17-9-6-7-13(12-17)16-21(19,20)18-10-5-4-8-14(18)11-15-2/h13-16H,3-12H2,1-2H3
InChIKeyDUEYTMVLSNHBBC-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.38
Rot. Bonds6

About N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106017718) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106017718
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC NameN-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCCN1CCCC(NS(=O)(=O)N2CCCCC2CNC)C1
InChIInChI=1S/C14H30N4O2S/c1-3-17-9-6-7-13(12-17)16-21(19,20)18-10-5-4-8-14(18)11-15-2/h13-16H,3-12H2,1-2H3
InChIKeyDUEYTMVLSNHBBC-UHFFFAOYSA-N
XLogP0.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091551
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106010976
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-(2,2-dimethylcyclopentyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106071092
2-(methylaminomethyl)-N-(2-methylsulfanylcyclopentyl)piperidine-1-sulfonamide
CID 106091786
2-(methylaminomethyl)-N-(2-methylsulfanylpropyl)piperidine-1-sulfonamide
CID 106077916
2-(methylaminomethyl)-N-(4-methylhexan-2-yl)piperidine-1-sulfonamide
CID 106066812
2-amino-N-(1-ethylpiperidin-3-yl)ethanesulfonamide
CID 61476840
N-[(5-ethylthiophen-2-yl)methyl]-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094651
methyl N-[2-(methylaminomethyl)pyrrolidin-1-yl]sulfonylcarbamate
CID 114465274
N-(1-benzylpiperidin-3-yl)-2-methylpiperidine-1-sulfonamide
CID 55682031
2-(propylaminomethyl)-N-(thian-3-yl)piperidine-1-sulfonamide
CID 106081477

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106017718) is N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CCN1CCCC(NS(=O)(=O)N2CCCCC2CNC)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is DUEYTMVLSNHBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-3-17-9-6-7-13(12-17)16-21(19,20)18-10-5-4-8-14(18)11-15-2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 318.49 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106017718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).