N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide

C17H23N3O3S2 — CID 7778877

IUPACN-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1cc(CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)no1
InChIInChI=1S/C17H23N3O3S2/c1-13-10-14(19-23-13)12-24-17-9-8-16(11-18-17)25(21,22)20(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyRSQICGXGKQHTLY-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.62
Rot. Bonds6

About N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide

N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide (PubChem CID 7778877) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
PubChem CID7778877
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC NameN-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide
SMILESCc1cc(CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)no1
InChIInChI=1S/C17H23N3O3S2/c1-13-10-14(19-23-13)12-24-17-9-8-16(11-18-17)25(21,22)20(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3
InChIKeyRSQICGXGKQHTLY-UHFFFAOYSA-N
XLogP3.62
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide (CID 7778877) is N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide is Cc1cc(CSc2ccc(S(=O)(=O)N(C)C3CCCCC3)cn2)no1.
What is the InChIKey of N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
The InChIKey is RSQICGXGKQHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-13-10-14(19-23-13)12-24-17-9-8-16(11-18-17)25(21,22)20(2)15-6-4-3-5-7-15/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide?
N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-sulfonamide is sourced from PubChem (CID 7778877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).