4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide

C15H24N2O4S — CID 97016364

IUPAC4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide
SMILESCC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1
InChIInChI=1S/C15H24N2O4S/c1-5-12-7-6-8-17(10-12)15(18)13-9-14(21-11(13)2)22(19,20)16(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyJNDRLJNWXVMUNZ-LBPRGKRZSA-N
MW328.43 g/mol
LogP2.10
Rot. Bonds4

About 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide

4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide (PubChem CID 97016364) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide.

Molecular Properties

Compound Name4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide
PubChem CID97016364
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide
SMILESCC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1
InChIInChI=1S/C15H24N2O4S/c1-5-12-7-6-8-17(10-12)15(18)13-9-14(21-11(13)2)22(19,20)16(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1
InChIKeyJNDRLJNWXVMUNZ-LBPRGKRZSA-N
XLogP2.10
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide?
The IUPAC name of 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide (CID 97016364) is 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide.
What is the SMILES notation for 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide?
The canonical SMILES for 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide is CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)C1.
What is the InChIKey of 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide?
The InChIKey is JNDRLJNWXVMUNZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-5-12-7-6-8-17(10-12)15(18)13-9-14(21-11(13)2)22(19,20)16(3)4/h9,12H,5-8,10H2,1-4H3/t12-/m0/s1.
What are the key properties of 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide?
4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide has a molecular weight of 328.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-ethylpiperidine-1-carbonyl]-N,N,5-trimethylfuran-2-sulfonamide is sourced from PubChem (CID 97016364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).