N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide

C13H29N3O2S — CID 54903580

IUPACN-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN1CCC(NCCCN(CC)S(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-15-11-7-13(8-12-15)14-9-6-10-16(5-2)19(3,17)18/h13-14H,4-12H2,1-3H3
InChIKeyIOCLQANFXAGKLE-UHFFFAOYSA-N
MW291.46 g/mol
LogP0.73
Rot. Bonds8

About N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 54903580) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID54903580
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN1CCC(NCCCN(CC)S(C)(=O)=O)CC1
InChIInChI=1S/C13H29N3O2S/c1-4-15-11-7-13(8-12-15)14-9-6-10-16(5-2)19(3,17)18/h13-14H,4-12H2,1-3H3
InChIKeyIOCLQANFXAGKLE-UHFFFAOYSA-N
XLogP0.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
CID 65073766
N-ethyl-N-[3-[(1-methylpiperidin-4-yl)amino]propyl]methanesulfonamide
CID 54903531
N-[3-(cycloheptylamino)propyl]-N-ethylmethanesulfonamide
CID 54903530
N-ethyl-N-[3-[(3-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 64502160
N-ethyl-N-[3-(oxepan-4-ylamino)propyl]methanesulfonamide
CID 65081506
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-ethyl-N-[3-[(2-methylcyclopentyl)amino]propyl]methanesulfonamide
CID 65045736
N-[3-(2,6-dioxaspiro[4.5]decan-9-ylamino)propyl]-N-ethylmethanesulfonamide
CID 79902853
tert-butyl N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]-N-methylcarbamate
CID 103781266
N-ethyl-N-[3-[(2-oxoazepan-4-yl)amino]propyl]methanesulfonamide
CID 63905047
N-ethyl-N-[3-(1,2,3,4-tetrahydronaphthalen-2-ylamino)propyl]methanesulfonamide
CID 61014017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide (CID 54903580) is N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide is CCN1CCC(NCCCN(CC)S(C)(=O)=O)CC1.
What is the InChIKey of N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is IOCLQANFXAGKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-4-15-11-7-13(8-12-15)14-9-6-10-16(5-2)19(3,17)18/h13-14H,4-12H2,1-3H3.
What are the key properties of N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 291.46 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(1-ethylpiperidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 54903580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).