N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

C19H29N3O3S — CID 119502196

IUPACN-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCNCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-10-11-21-19(23)16-8-12-22(13-9-16)26(24,25)18-7-6-15-4-2-3-5-17(15)14-18/h6-7,14,16,20H,2-5,8-13H2,1H3,(H,21,23)
InChIKeyHBXWPHYJNCNLGK-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.30
Rot. Bonds6

About N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (PubChem CID 119502196) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
PubChem CID119502196
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC NameN-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
SMILESCNCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C19H29N3O3S/c1-20-10-11-21-19(23)16-8-12-22(13-9-16)26(24,25)18-7-6-15-4-2-3-5-17(15)14-18/h6-7,14,16,20H,2-5,8-13H2,1H3,(H,21,23)
InChIKeyHBXWPHYJNCNLGK-UHFFFAOYSA-N
XLogP1.30
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 119385439
N-(3-piperidin-1-ylpropyl)-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 27743802
N-[2-(benzenesulfonyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55733985
N-[2-[(2-fluorobenzoyl)amino]ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55973791
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55720513
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylsulfonylpiperidine-4-carboxamide
CID 146154894
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-hydroxypiperidine-4-carboxamide
CID 25358979
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]butyl]piperidine-4-carboxamide
CID 51960514
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carbonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 55953557
N-[4-(methylcarbamoylamino)phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 46518214
N-tert-butyl-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 51175570
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[(2R)-2-(ethylamino)propyl]piperidine-4-carboxamide
CID 120653739

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide (CID 119502196) is N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is CNCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
The InChIKey is HBXWPHYJNCNLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-20-10-11-21-19(23)16-8-12-22(13-9-16)26(24,25)18-7-6-15-4-2-3-5-17(15)14-18/h6-7,14,16,20H,2-5,8-13H2,1H3,(H,21,23).
What are the key properties of N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide?
N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119502196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).