2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide

C15H27N3O2S — CID 102907920

IUPAC2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)ccn1
InChIInChI=1S/C15H27N3O2S/c1-6-16-15-9-13(7-8-17-15)21(19,20)18-10-14(11(2)3)12(4)5/h7-9,11-12,14,18H,6,10H2,1-5H3,(H,16,17)
InChIKeyCZILEZHHIUMHIF-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.72
Rot. Bonds8

About 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide

2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide (PubChem CID 102907920) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
PubChem CID102907920
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)ccn1
InChIInChI=1S/C15H27N3O2S/c1-6-16-15-9-13(7-8-17-15)21(19,20)18-10-14(11(2)3)12(4)5/h7-9,11-12,14,18H,6,10H2,1-5H3,(H,16,17)
InChIKeyCZILEZHHIUMHIF-UHFFFAOYSA-N
XLogP2.72
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-propan-2-ylpyridine-4-sulfonamide
CID 62149834
2-(ethylamino)-N-(3-ethylpentan-2-yl)pyridine-4-sulfonamide
CID 63838256
2-(ethylamino)-N-(3-ethylpentan-3-yl)pyridine-4-sulfonamide
CID 65042331
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-5-sulfonamide
CID 102907919
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
2-(ethylamino)-N-[(1-methylcyclopentyl)methyl]pyridine-4-sulfonamide
CID 63830358
N-tert-butyl-2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]acetamide
CID 115357155
2-(ethylamino)-N-(4,4,4-trifluorobutyl)pyridine-4-sulfonamide
CID 115522007
N-(1-ethoxypropan-2-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62158252
2-(ethylamino)-N-(4-methoxybutan-2-yl)pyridine-4-sulfonamide
CID 64605539
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
2-[[2-(ethylamino)-4-pyridinyl]sulfonylamino]-N-propylacetamide
CID 62147526

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide (CID 102907920) is 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)NCC(C(C)C)C(C)C)ccn1.
What is the InChIKey of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide?
The InChIKey is CZILEZHHIUMHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-16-15-9-13(7-8-17-15)21(19,20)18-10-14(11(2)3)12(4)5/h7-9,11-12,14,18H,6,10H2,1-5H3,(H,16,17).
What are the key properties of 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide?
2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-4-sulfonamide is sourced from PubChem (CID 102907920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).