6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide

C16H23N3O3S — CID 164635395

IUPAC6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide
SMILESC=CC[C@@H]1N(C(=O)c2ccc(S(N)(=O)=O)cn2)CCCC1(C)C
InChIInChI=1S/C16H23N3O3S/c1-4-6-14-16(2,3)9-5-10-19(14)15(20)13-8-7-12(11-18-13)23(17,21)22/h4,7-8,11,14H,1,5-6,9-10H2,2-3H3,(H2,17,21,22)/t14-/m0/s1
InChIKeyLYXXWQGHNOHTPL-AWEZNQCLSA-N
MW337.45 g/mol
LogP1.94
Rot. Bonds4

About 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide

6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide (PubChem CID 164635395) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide
PubChem CID164635395
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide
SMILESC=CC[C@@H]1N(C(=O)c2ccc(S(N)(=O)=O)cn2)CCCC1(C)C
InChIInChI=1S/C16H23N3O3S/c1-4-6-14-16(2,3)9-5-10-19(14)15(20)13-8-7-12(11-18-13)23(17,21)22/h4,7-8,11,14H,1,5-6,9-10H2,2-3H3,(H2,17,21,22)/t14-/m0/s1
InChIKeyLYXXWQGHNOHTPL-AWEZNQCLSA-N
XLogP1.94
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide?
The IUPAC name of 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide (CID 164635395) is 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide is C=CC[C@@H]1N(C(=O)c2ccc(S(N)(=O)=O)cn2)CCCC1(C)C.
What is the InChIKey of 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide?
The InChIKey is LYXXWQGHNOHTPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-4-6-14-16(2,3)9-5-10-19(14)15(20)13-8-7-12(11-18-13)23(17,21)22/h4,7-8,11,14H,1,5-6,9-10H2,2-3H3,(H2,17,21,22)/t14-/m0/s1.
What are the key properties of 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide?
6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-3,3-dimethyl-2-prop-2-enylpiperidine-1-carbonyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164635395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).