4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

C17H33N3O2S — CID 99856203

IUPAC4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC1=CCC[C@H](C)[C@@H]1CNCC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H33N3O2S/c1-14-6-5-7-15(2)17(14)13-18-12-16-8-10-20(11-9-16)23(21,22)19(3)4/h6,15-18H,5,7-13H2,1-4H3/t15-,17+/m0/s1
InChIKeyFOSMQMDCJSTQAY-DOTOQJQBSA-N
MW343.54 g/mol
LogP2.09
Rot. Bonds6

About 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 99856203) has the molecular formula C17H33N3O2S and a molecular weight of 343.54 g/mol. Its IUPAC name is 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID99856203
Molecular FormulaC17H33N3O2S
Molecular Weight343.54 g/mol
Exact Mass343.23
IUPAC Name4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCC1=CCC[C@H](C)[C@@H]1CNCC1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C17H33N3O2S/c1-14-6-5-7-15(2)17(14)13-18-12-16-8-10-20(11-9-16)23(21,22)19(3)4/h6,15-18H,5,7-13H2,1-4H3/t15-,17+/m0/s1
InChIKeyFOSMQMDCJSTQAY-DOTOQJQBSA-N
XLogP2.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 99856203) is 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is CC1=CCC[C@H](C)[C@@H]1CNCC1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is FOSMQMDCJSTQAY-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H33N3O2S/c1-14-6-5-7-15(2)17(14)13-18-12-16-8-10-20(11-9-16)23(21,22)19(3)4/h6,15-18H,5,7-13H2,1-4H3/t15-,17+/m0/s1.
What are the key properties of 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 343.54 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]methyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 99856203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).