N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide

C15H26N4O2S — CID 56795211

IUPACN-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCc1cccc(NC2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18(4)22(20,21)19-10-8-14(9-11-19)17-15-7-5-6-13(3)16-15/h5-7,12,14H,8-11H2,1-4H3,(H,16,17)
InChIKeyKEVCTNUFHLDRMO-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.85
Rot. Bonds5

About N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide

N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide (PubChem CID 56795211) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide
PubChem CID56795211
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide
SMILESCc1cccc(NC2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1
InChIInChI=1S/C15H26N4O2S/c1-12(2)18(4)22(20,21)19-10-8-14(9-11-19)17-15-7-5-6-13(3)16-15/h5-7,12,14H,8-11H2,1-4H3,(H,16,17)
InChIKeyKEVCTNUFHLDRMO-UHFFFAOYSA-N
XLogP1.85
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide?
The IUPAC name of N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide (CID 56795211) is N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide.
What is the SMILES notation for N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide?
The canonical SMILES for N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide is Cc1cccc(NC2CCN(S(=O)(=O)N(C)C(C)C)CC2)n1.
What is the InChIKey of N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide?
The InChIKey is KEVCTNUFHLDRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12(2)18(4)22(20,21)19-10-8-14(9-11-19)17-15-7-5-6-13(3)16-15/h5-7,12,14H,8-11H2,1-4H3,(H,16,17).
What are the key properties of N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide?
N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(6-methyl-2-pyridinyl)amino]-N-propan-2-ylpiperidine-1-sulfonamide is sourced from PubChem (CID 56795211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).