N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide

C12H20N2O3S — CID 95970906

IUPACN-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccnc1)C(C)(C)C
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)11(17-4)9-14-18(15,16)10-6-5-7-13-8-10/h5-8,11,14H,9H2,1-4H3/t11-/m0/s1
InChIKeyAKMKSFKTZXJPRO-NSHDSACASA-N
MW272.37 g/mol
LogP1.42
Rot. Bonds5

About N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide

N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide (PubChem CID 95970906) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
PubChem CID95970906
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1cccnc1)C(C)(C)C
InChIInChI=1S/C12H20N2O3S/c1-12(2,3)11(17-4)9-14-18(15,16)10-6-5-7-13-8-10/h5-8,11,14H,9H2,1-4H3/t11-/m0/s1
InChIKeyAKMKSFKTZXJPRO-NSHDSACASA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide (CID 95970906) is N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide is CO[C@@H](CNS(=O)(=O)c1cccnc1)C(C)(C)C.
What is the InChIKey of N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide?
The InChIKey is AKMKSFKTZXJPRO-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-12(2,3)11(17-4)9-14-18(15,16)10-6-5-7-13-8-10/h5-8,11,14H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide?
N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-3,3-dimethylbutyl]pyridine-3-sulfonamide is sourced from PubChem (CID 95970906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).