N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

C23H30N2O3S2 — CID 133191545

IUPACN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H30N2O3S2/c1-2-21(19-12-11-17-7-3-4-8-18(17)15-19)24-23(26)20-9-5-13-25(16-20)30(27,28)22-10-6-14-29-22/h6,10-12,14-15,20-21H,2-5,7-9,13,16H2,1H3,(H,24,26)
InChIKeyPXNRGROMZBZLMU-UHFFFAOYSA-N
MW446.64 g/mol
LogP4.30
Rot. Bonds6

About N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide

N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 133191545) has the molecular formula C23H30N2O3S2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID133191545
Molecular FormulaC23H30N2O3S2
Molecular Weight446.64 g/mol
Exact Mass446.17
IUPAC NameN-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
SMILESCCC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H30N2O3S2/c1-2-21(19-12-11-17-7-3-4-8-18(17)15-19)24-23(26)20-9-5-13-25(16-20)30(27,28)22-10-6-14-29-22/h6,10-12,14-15,20-21H,2-5,7-9,13,16H2,1H3,(H,24,26)
InChIKeyPXNRGROMZBZLMU-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.64
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 125084727
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
(3S)-1-[(4-chlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125086257
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3S)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125087730
(3S)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-3-carboxamide
CID 125088254
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019231
(3S)-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92802328
N-butan-2-yl-N-methyl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 134006152
(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
(3S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 92686059

Frequently Asked Questions

What is the IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide (CID 133191545) is N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is CCC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is PXNRGROMZBZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S2/c1-2-21(19-12-11-17-7-3-4-8-18(17)15-19)24-23(26)20-9-5-13-25(16-20)30(27,28)22-10-6-14-29-22/h6,10-12,14-15,20-21H,2-5,7-9,13,16H2,1H3,(H,24,26).
What are the key properties of N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide?
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 133191545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).