[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

C23H30N2O3S — CID 8795472

IUPAC[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N2O3S/c1-17-6-5-7-18(2)25(17)23(26)20-12-14-24(15-13-20)29(27,28)22-11-10-19-8-3-4-9-21(19)16-22/h3-4,8-11,16-18,20H,5-7,12-15H2,1-2H3/t17-,18-/m0/s1
InChIKeyPWDNZHNAYCPNHY-ROUUACIJSA-N
MW414.57 g/mol
LogP4.03
Rot. Bonds3

About [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 8795472) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID8795472
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESC[C@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C23H30N2O3S/c1-17-6-5-7-18(2)25(17)23(26)20-12-14-24(15-13-20)29(27,28)22-11-10-19-8-3-4-9-21(19)16-22/h3-4,8-11,16-18,20H,5-7,12-15H2,1-2H3/t17-,18-/m0/s1
InChIKeyPWDNZHNAYCPNHY-ROUUACIJSA-N
XLogP4.03
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[(2S)-1-naphthalen-2-ylsulfonylpyrrolidin-2-yl]methanone
CID 8779612
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)ethanone
CID 8692234
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 98701148
N-(4-acetamidophenyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 26499572
2-methyl-1-naphthalen-2-ylsulfonylpiperidine
CID 3745150
(1-naphthalen-2-ylsulfonylpiperidin-4-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 41440130
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799
1-naphthalen-2-ylsulfonyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 27741102
N-(3-methylbutan-2-yl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 43001842
1-naphthalen-2-ylsulfonyl-4-phenylpiperidine
CID 4729267

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (CID 8795472) is [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is C[C@H]1CCC[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is PWDNZHNAYCPNHY-ROUUACIJSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-17-6-5-7-18(2)25(17)23(26)20-12-14-24(15-13-20)29(27,28)22-11-10-19-8-3-4-9-21(19)16-22/h3-4,8-11,16-18,20H,5-7,12-15H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 414.57 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 8795472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).