dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium

C16H26N3O3S+ — CID 4992823

IUPACdimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
SMILESC[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-18(2)13-10-17-16(20)14-6-8-15(9-7-14)23(21,22)19-11-4-3-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,17,20)/p+1
InChIKeyJQACMYKSAAVGQI-UHFFFAOYSA-O
MW340.47 g/mol
LogP-0.26
Rot. Bonds6

About dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium

dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium (PubChem CID 4992823) has the molecular formula C16H26N3O3S+ and a molecular weight of 340.47 g/mol. Its IUPAC name is dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
PubChem CID4992823
Molecular FormulaC16H26N3O3S+
Molecular Weight340.47 g/mol
Exact Mass340.17
IUPAC Namedimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium
SMILESC[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-18(2)13-10-17-16(20)14-6-8-15(9-7-14)23(21,22)19-11-4-3-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,17,20)/p+1
InChIKeyJQACMYKSAAVGQI-UHFFFAOYSA-O
XLogP-0.26
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]ethyl-di(propan-2-yl)azanium
CID 8919223
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26264709
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8919211
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
methyl 2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]acetate
CID 799852
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium (CID 4992823) is dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium is C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium?
The InChIKey is JQACMYKSAAVGQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O3S/c1-18(2)13-10-17-16(20)14-6-8-15(9-7-14)23(21,22)19-11-4-3-5-12-19/h6-9H,3-5,10-13H2,1-2H3,(H,17,20)/p+1.
What are the key properties of dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium?
dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium has a molecular weight of 340.47 g/mol, XLogP of -0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl]azanium is sourced from PubChem (CID 4992823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).