2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide

C15H23N3O2S — CID 65427611

IUPAC2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C15H23N3O2S/c16-15-14(7-4-10-17-15)21(19,20)18(13-8-9-13)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H2,16,17)
InChIKeyCYDMUCWJWHACRD-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.40
Rot. Bonds5

About 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide

2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide (PubChem CID 65427611) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
PubChem CID65427611
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C15H23N3O2S/c16-15-14(7-4-10-17-15)21(19,20)18(13-8-9-13)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H2,16,17)
InChIKeyCYDMUCWJWHACRD-UHFFFAOYSA-N
XLogP2.40
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide (CID 65427611) is 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide?
The InChIKey is CYDMUCWJWHACRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c16-15-14(7-4-10-17-15)21(19,20)18(13-8-9-13)11-12-5-2-1-3-6-12/h4,7,10,12-13H,1-3,5-6,8-9,11H2,(H2,16,17).
What are the key properties of 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide?
2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(cyclohexylmethyl)-N-cyclopropylpyridine-3-sulfonamide is sourced from PubChem (CID 65427611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).