6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide

C14H23N3O3S — CID 103341247

IUPAC6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(c1ccc(S(=O)(=O)N(C)C)cn1)C1CCCCC1O
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(19,20)11-8-9-14(15-10-11)17(3)12-6-4-5-7-13(12)18/h8-10,12-13,18H,4-7H2,1-3H3
InChIKeyLLZPCLXWBKDYID-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.07
Rot. Bonds4

About 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide

6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 103341247) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID103341247
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(c1ccc(S(=O)(=O)N(C)C)cn1)C1CCCCC1O
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(19,20)11-8-9-14(15-10-11)17(3)12-6-4-5-7-13(12)18/h8-10,12-13,18H,4-7H2,1-3H3
InChIKeyLLZPCLXWBKDYID-UHFFFAOYSA-N
XLogP1.07
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide (CID 103341247) is 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide is CN(c1ccc(S(=O)(=O)N(C)C)cn1)C1CCCCC1O.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is LLZPCLXWBKDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(2)21(19,20)11-8-9-14(15-10-11)17(3)12-6-4-5-7-13(12)18/h8-10,12-13,18H,4-7H2,1-3H3.
What are the key properties of 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)-methylamino]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 103341247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).