2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium

C12H26N3O3S+ — CID 3636219

IUPAC2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16)/p+1
InChIKeyCAPCSHDFAQHSGJ-UHFFFAOYSA-O
MW292.42 g/mol
LogP-1.69
Rot. Bonds6

About 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium

2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 3636219) has the molecular formula C12H26N3O3S+ and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
PubChem CID3636219
Molecular FormulaC12H26N3O3S+
Molecular Weight292.42 g/mol
Exact Mass292.17
IUPAC Name2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium
SMILESCCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1
InChIInChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16)/p+1
InChIKeyCAPCSHDFAQHSGJ-UHFFFAOYSA-O
XLogP-1.69
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylsulfonyl-N-heptylpiperidine-4-carboxamide
CID 174300935
5-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]pentanoic acid
CID 62032483
2-[2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119241575
N-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 3687178
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
1-ethylsulfonyl-N-[2-(2-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 3294768
3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369311
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
methyl 3-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-2-hydroxypropanoate
CID 103879591
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium (CID 3636219) is 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium is CCS(=O)(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1.
What is the InChIKey of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is CAPCSHDFAQHSGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H25N3O3S/c1-4-19(17,18)15-8-5-11(6-9-15)12(16)13-7-10-14(2)3/h11H,4-10H2,1-3H3,(H,13,16)/p+1.
What are the key properties of 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium?
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 292.42 g/mol, XLogP of -1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 3636219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).